N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C13H23ClN4O — CID 119600794

IUPACN-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)NC2CCCC2CN)n[nH]1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-8(2)11-6-12(17-16-11)13(18)15-10-5-3-4-9(10)7-14;/h6,8-10H,3-5,7,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyMQNROQPBMQNCQY-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.81
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119600794) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119600794
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)NC2CCCC2CN)n[nH]1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-8(2)11-6-12(17-16-11)13(18)15-10-5-3-4-9(10)7-14;/h6,8-10H,3-5,7,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyMQNROQPBMQNCQY-UHFFFAOYSA-N
XLogP1.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 119605177
N-[2-(aminomethyl)cyclopentyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119603692
N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119613012
N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119600626
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119612272
N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119565030
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[2-(aminomethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119601937
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119600794) is N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)c1cc(C(=O)NC2CCCC2CN)n[nH]1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is MQNROQPBMQNCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-8(2)11-6-12(17-16-11)13(18)15-10-5-3-4-9(10)7-14;/h6,8-10H,3-5,7,14H2,1-2H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119600794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).