4-Cyclopentyl-1H-pyrazole

CAT: 0127-OR1002605Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

90253-22-8

MDL Number

MFCD19105114

Purity

=95%

Smiles

C1CCC(C1)C1=CNN=C1

Chemical Information

4-Cyclopentyl-1H-pyrazole

CAS Number	90253-22-8
PubChem CID	13163975
IUPAC Name	4-cyclopentyl-1H-pyrazole
Molecular Formula	C8H12N2
Molecular Weight	136.19
XLogP	2.2
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

C1CCC(C1)C2=CNN=C2

InChI

InChI=1S/C8H12N2/c1-2-4-7(3-1)8-5-9-10-6-8/h5-7H,1-4H2,(H,9,10)

InChIKey

LZCWESDQKOJPRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90253-22-8

CID: 13163975

Formula: C8H12N2

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	136.100048391
Monoisotopic Mass	136.100048391
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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
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OR905788-01	3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile
OR956955	5-Chloro-1-cyclopentyl-1H-pyrazole
OR956274	1-Cyclopentyl-5-nitro-1H-pyrazole
OR1056477-01	Ethyl 1-cyclopentyl-5-hydroxy-1H-pyrazole-4-carboxylate

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MKD79381-01	3-Cyclopentyl-1-methyl-1H-pyrazole-4-sulfonamide
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