N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride

C12H21ClN4O — CID 119600954

IUPACN-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-8-10(7-16(2)15-8)12(17)14-11-5-3-4-9(11)6-13;/h7,9,11H,3-6,13H2,1-2H3,(H,14,17);1H
InChIKeyXLUVNXWJHJDWCQ-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.01
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119600954) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119600954
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-8-10(7-16(2)15-8)12(17)14-11-5-3-4-9(11)6-13;/h7,9,11H,3-6,13H2,1-2H3,(H,14,17);1H
InChIKeyXLUVNXWJHJDWCQ-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
CID 119602881
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119600722
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125125
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119601096
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide;hydrochloride
CID 119609982
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810931
N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride (CID 119600954) is N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride is Cc1nn(C)cc1C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is XLUVNXWJHJDWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-8-10(7-16(2)15-8)12(17)14-11-5-3-4-9(11)6-13;/h7,9,11H,3-6,13H2,1-2H3,(H,14,17);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119600954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).