3-Cyclobutyl-1H-pyrazole

CAT: 0127-OR1054191Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1054191Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

476629-86-4

MDL Number

MFCD21601708

Purity

95%

Smiles

C1(C2CCC2)=NNC=C1

Chemical Information

3-cyclobutyl-1H-pyrazole

CAS Number	476629-86-4
PubChem CID	12108429
IUPAC Name	5-cyclobutyl-1H-pyrazole
Molecular Formula	C7H10N2
Molecular Weight	122.17
XLogP	1.3
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

C1CC(C1)C2=CC=NN2

InChI

InChI=1S/C7H10N2/c1-2-6(3-1)7-4-5-8-9-7/h4-6H,1-3H2,(H,8,9)

InChIKey

HLPBQDVLMHJKRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 476629-86-4

CID: 12108429

Formula: C7H10N2

MW: 122.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.17
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	122.084398327
Monoisotopic Mass	122.084398327
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR317113-01	3-Amino-5-cyclobutyl-1H-pyrazole
OR78608-01	1-Cyclobutyl-1H-pyrazole-3-carboxylic acid
OR78034-01	1-Cyclobutyl-1H-pyrazole-4-carbaldehyde
OR70306	3-Cyclobutyl-1-methyl-1H-pyrazole-4-carbaldehyde
OR306188	1-Cyclobutyl-1H-pyrazole-4-carboxylic acid
OR87751-01	1-Cyclobutyl-1H-pyrazole-5-carboxylic acid
OR306185	1-Cyclobutyl-5-methyl-1H-pyrazole-3-carboxylic acid
PC1005073-01	5-Chloro-1-cyclobutyl-3- (difluoromethyl) -1H-pyrazole-4-carbaldehyde
OR317114-01	1-Cyclobutyl-1H-pyrazole-4-boronic acid pinacol ester
PC420024	5- (3-Fluoro-cyclobutyl) -1H-pyrazol-3-ylamine

Catalog	Name
BUA62986-01	3-Cyclobutyl-1H-pyrazole
JBD30843-01	4-Cyclobutyl-1H-pyrazole
TAD99150-01	1-Cyclobutyl-1H-pyrazole-3-carbaldehyde
BNA82721	3-Amino-5-cyclobutyl-1H-pyrazole
ZEC83012-01	3-Cyclobutyl-4-nitro-1H-pyrazole
EWC48021-01	5-Cyclobutyl-1H-pyrazole-3-carbaldehyde
ICD65250-01	3-Cyclobutyl-1H-pyrazole-4-sulfonyl chloride
GLD77242-01	Methyl 3-cyclobutyl-1H-pyrazole-5-carboxylate
MKD60471-01	4-Bromo-3-cyclobutyl-1H-pyrazole hydrochloride
HNB12937-01	5-Cyclobutyl-1H-pyrazole-3-carboxylic acid