N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride

C14H25ClN4O — CID 119600768

IUPACN-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)n1cc(C(=O)NC2CCCC2CN)cn1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-14(2,3)18-9-11(8-16-18)13(19)17-12-6-4-5-10(12)7-15;/h8-10,12H,4-7,15H2,1-3H3,(H,17,19);1H
InChIKeyPLDKGBZNOTUAKX-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.92
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119600768) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
PubChem CID119600768
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)n1cc(C(=O)NC2CCCC2CN)cn1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-14(2,3)18-9-11(8-16-18)13(19)17-12-6-4-5-10(12)7-15;/h8-10,12H,4-7,15H2,1-3H3,(H,17,19);1H
InChIKeyPLDKGBZNOTUAKX-UHFFFAOYSA-N
XLogP1.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
CID 119611274
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119600722
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
tert-butyl N-[(1R,2R)-2-[(1-tert-butylpyrazole-4-carbonyl)amino]cycloheptyl]carbamate
CID 71886712
N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119604010
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide
CID 119572438
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride (CID 119600768) is N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride is CC(C)(C)n1cc(C(=O)NC2CCCC2CN)cn1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is PLDKGBZNOTUAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-14(2,3)18-9-11(8-16-18)13(19)17-12-6-4-5-10(12)7-15;/h8-10,12H,4-7,15H2,1-3H3,(H,17,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.92, 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-tert-butylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119600768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).