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1- (Cyclopropylmethyl) pyrazole

CAT: 0127-OR959881-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR959881-01Size:1 g
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CAS Number
1344382-51-9
MDL Number
MFCD18889145
Purity
97%
Smiles
C(C1CC1)n2cccn2

Chemical Information

1-(Cyclopropylmethyl)-1H-pyrazole
CAS Number1344382-51-9
PubChem CID56776946
IUPAC Name1-(cyclopropylmethyl)pyrazole
Molecular FormulaC7H10N2
Molecular Weight122.17
XLogP0.3
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1CC1CN2C=CC=N2
InChI
InChI=1S/C7H10N2/c1-4-8-9(5-1)6-7-2-3-7/h1,4-5,7H,2-3,6H2
InChIKey
IWZYEIKJKNCJNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Cyclopropylmethyl)-1H-pyrazole
CAS: 1344382-51-9
CID: 56776946
Formula: C7H10N2
MW: 122.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.17
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass122.084398327
Monoisotopic Mass122.084398327
Topological Polar Surface Area17.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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