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1257859-00-9 | 4-Cyclohex-1-en-1-yl-1H-pyrazol-5-amine
CAS No: 1257859-00-9 Catalog No: AG01FC9G MDL No:
Product Description
Catalog Number:
AG01FC9G
Chemical Name:
4-Cyclohex-1-en-1-yl-1H-pyrazol-5-amine
CAS Number:
1257859-00-9
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
IUPAC Name:
4-(cyclohexen-1-yl)-1H-pyrazol-5-amine
InChI:
InChI=1S/C9H13N3/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h4,6H,1-3,5H2,(H3,10,11,12)
InChI Key:
LZTCNQCKTIQETN-UHFFFAOYSA-N
SMILES:
Nc1[nH]ncc1C1=CCCCC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.224g/mol
Monoisotopic Mass:
163.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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