1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride

C17H23ClN4O — CID 119322482

IUPAC1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(N)CCCC1)c1ccccc1-n1cccn1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13(20-16(22)17(18)9-4-5-10-17)14-7-2-3-8-15(14)21-12-6-11-19-21;/h2-3,6-8,11-13H,4-5,9-10,18H2,1H3,(H,20,22);1H
InChIKeyQPDMRQGAUCDQAB-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.74
Rot. Bonds4

About 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119322482) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119322482
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(N)CCCC1)c1ccccc1-n1cccn1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13(20-16(22)17(18)9-4-5-10-17)14-7-2-3-8-15(14)21-12-6-11-19-21;/h2-3,6-8,11-13H,4-5,9-10,18H2,1H3,(H,20,22);1H
InChIKeyQPDMRQGAUCDQAB-UHFFFAOYSA-N
XLogP2.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide
CID 136521990
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119269431
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
cis-(1S,3R)-2,2-dimethyl-3-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065752
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119327113
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119322482) is 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride is CC(NC(=O)C1(N)CCCC1)c1ccccc1-n1cccn1.Cl.
What is the InChIKey of 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QPDMRQGAUCDQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-13(20-16(22)17(18)9-4-5-10-17)14-7-2-3-8-15(14)21-12-6-11-19-21;/h2-3,6-8,11-13H,4-5,9-10,18H2,1H3,(H,20,22);1H.
What are the key properties of 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119322482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).