3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride

C21H31ClN4O — CID 119737084

IUPAC3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C21H30N4O.ClH/c1-25(21(26)17-11-12-18(22)14-17)13-7-3-6-10-19-15-20(24-23-19)16-8-4-2-5-9-16;/h2,4-5,8-9,15,17-18H,3,6-7,10-14,22H2,1H3,(H,23,24);1H
InChIKeyFEZMQEGQGRRWCO-UHFFFAOYSA-N
MW390.96 g/mol
LogP3.80
Rot. Bonds8

About 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119737084) has the molecular formula C21H31ClN4O and a molecular weight of 390.96 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119737084
Molecular FormulaC21H31ClN4O
Molecular Weight390.96 g/mol
Exact Mass390.22
IUPAC Name3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C21H30N4O.ClH/c1-25(21(26)17-11-12-18(22)14-17)13-7-3-6-10-19-15-20(24-23-19)16-8-4-2-5-9-16;/h2,4-5,8-9,15,17-18H,3,6-7,10-14,22H2,1H3,(H,23,24);1H
InChIKeyFEZMQEGQGRRWCO-UHFFFAOYSA-N
XLogP3.80
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
CID 119296837
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
CID 119296838
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide
CID 119758443
2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 55970665
N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide
CID 55814815
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide
CID 119737107
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride (CID 119737084) is 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride is CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FEZMQEGQGRRWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.ClH/c1-25(21(26)17-11-12-18(22)14-17)13-7-3-6-10-19-15-20(24-23-19)16-8-4-2-5-9-16;/h2,4-5,8-9,15,17-18H,3,6-7,10-14,22H2,1H3,(H,23,24);1H.
What are the key properties of 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119737084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).