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1- (1-Cyclopropylethyl) -1H-pyrazole

CAT: 0926-YZB01187-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YZB01187-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1248011-87-1
MDL Number
MFCD14609934
Smiles
CC (C1CC1) N2C=CC=N2
Molecular Formula
C8H12N2
Molecular Weight
136.19 g/mol
Controlled
No

Chemical Information

1-(1-cyclopropylethyl)-1H-pyrazole
CAS Number1248011-87-1
PubChem CID61272490
IUPAC Name1-(1-cyclopropylethyl)pyrazole
Molecular FormulaC8H12N2
Molecular Weight136.19
XLogP1.3
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
CC(C1CC1)N2C=CC=N2
InChI
InChI=1S/C8H12N2/c1-7(8-3-4-8)10-6-2-5-9-10/h2,5-8H,3-4H2,1H3
InChIKey
ARKOSZWMDXMKAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1-cyclopropylethyl)-1H-pyrazole
CAS: 1248011-87-1
CID: 61272490
Formula: C8H12N2
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass136.100048391
Monoisotopic Mass136.100048391
Topological Polar Surface Area17.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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