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1-{2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methanamine hydrochloride

1-{2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methanamine hydrochloride

CAS: 1185295-94-6

Formula: C7H12ClN3

SMILES: Cl.NCC1=C2CCCC2=NN1

IUPAC: 1-{2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methanamine hydrochloride

InChI: InChI=1S/C7H11N3.ClH/c8-4-7-5-2-1-3-6(5)9-10-7;/h1-4,8H2,(H,9,10);1H

Composition: C (48.42%), H (6.97%), Cl (20.42%), N (24.20%)

Molar Mass: 173.64

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 173.0719751
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey OQMHQBOLBQFAFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.55
Topological Polar Surface Area 54.7
Polarizability 15.14
Ring Count 2
Rotatable Bond Count 1

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