3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride

C17H23ClN4O — CID 119788707

IUPAC3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCC(N)C1)c1cccc(-n2cccn2)c1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12(20-17(22)14-6-7-15(18)10-14)13-4-2-5-16(11-13)21-9-3-8-19-21;/h2-5,8-9,11-12,14-15H,6-7,10,18H2,1H3,(H,20,22);1H
InChIKeyLURCMEMSDRAAIO-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.60
Rot. Bonds4

About 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119788707) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119788707
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCC(N)C1)c1cccc(-n2cccn2)c1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12(20-17(22)14-6-7-15(18)10-14)13-4-2-5-16(11-13)21-9-3-8-19-21;/h2-5,8-9,11-12,14-15H,6-7,10,18H2,1H3,(H,20,22);1H
InChIKeyLURCMEMSDRAAIO-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
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CID 125119060
N-[1-(3-pyrazol-1-ylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
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3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
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3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
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3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
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(1R,2R,3R,4R)-3-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124865201
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119788707) is 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride is CC(NC(=O)C1CCC(N)C1)c1cccc(-n2cccn2)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is LURCMEMSDRAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12(20-17(22)14-6-7-15(18)10-14)13-4-2-5-16(11-13)21-9-3-8-19-21;/h2-5,8-9,11-12,14-15H,6-7,10,18H2,1H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119788707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).