1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C16H21ClN4O — CID 119290430

IUPAC1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccc(-n3cccn3)cc2)CCCC1
InChIInChI=1S/C16H20N4O.ClH/c17-16(8-1-2-9-16)15(21)18-12-13-4-6-14(7-5-13)20-11-3-10-19-20;/h3-7,10-11H,1-2,8-9,12,17H2,(H,18,21);1H
InChIKeyFXWXUXAWXRKKRY-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.18
Rot. Bonds4

About 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119290430) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119290430
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccc(-n3cccn3)cc2)CCCC1
InChIInChI=1S/C16H20N4O.ClH/c17-16(8-1-2-9-16)15(21)18-12-13-4-6-14(7-5-13)20-11-3-10-19-20;/h3-7,10-11H,1-2,8-9,12,17H2,(H,18,21);1H
InChIKeyFXWXUXAWXRKKRY-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866385
1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
CID 136516250
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55698077
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
CID 119725260
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
(1S,3aS,6aS)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxamide
CID 154571885
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 119725281

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119290430) is 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2ccc(-n3cccn3)cc2)CCCC1.
What is the InChIKey of 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FXWXUXAWXRKKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c17-16(8-1-2-9-16)15(21)18-12-13-4-6-14(7-5-13)20-11-3-10-19-20;/h3-7,10-11H,1-2,8-9,12,17H2,(H,18,21);1H.
What are the key properties of 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119290430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).