3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride

C13H23ClN4O — CID 119734111

IUPAC3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCC(N)C1)Cn1cccn1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-10(9-17-6-2-5-16-17)8-15-13(18)11-3-4-12(14)7-11;/h2,5-6,10-12H,3-4,7-9,14H2,1H3,(H,15,18);1H
InChIKeyVLAWKTRMBQRNFY-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.18
Rot. Bonds5

About 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119734111) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119734111
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCC(N)C1)Cn1cccn1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-10(9-17-6-2-5-16-17)8-15-13(18)11-3-4-12(14)7-11;/h2,5-6,10-12H,3-4,7-9,14H2,1H3,(H,15,18);1H
InChIKeyVLAWKTRMBQRNFY-UHFFFAOYSA-N
XLogP1.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119734117
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CID 119295241
(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120788413
(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
CID 98756044
3-amino-N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 119869000
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157
4-(1-hydroxyethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 111438395
4-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,4-diazepane-1-carboxamide
CID 86802773
(3S)-1-(2-ethylphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 52726455
(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 52726453
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 119789233
3-amino-N-(2-hydroxy-3-methylpentyl)cyclopentane-1-carboxamide
CID 119784024

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride (CID 119734111) is 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride is CC(CNC(=O)C1CCC(N)C1)Cn1cccn1.Cl.
What is the InChIKey of 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is VLAWKTRMBQRNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-10(9-17-6-2-5-16-17)8-15-13(18)11-3-4-12(14)7-11;/h2,5-6,10-12H,3-4,7-9,14H2,1H3,(H,15,18);1H.
What are the key properties of 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119734111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).