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

C14H25ClN4O — CID 119734117

IUPAC3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCC(N)C1)Cn1cccn1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-11(10-18-7-3-6-17-18)9-16-14(19)12-4-2-5-13(15)8-12;/h3,6-7,11-13H,2,4-5,8-10,15H2,1H3,(H,16,19);1H
InChIKeyOWJQEIUMTXHGPN-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.57
Rot. Bonds5

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

3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119734117) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119734117
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCC(N)C1)Cn1cccn1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-11(10-18-7-3-6-17-18)9-16-14(19)12-4-2-5-13(15)8-12;/h3,6-7,11-13H,2,4-5,8-10,15H2,1H3,(H,16,19);1H
InChIKeyOWJQEIUMTXHGPN-UHFFFAOYSA-N
XLogP1.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119734111
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CID 119295241
(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
CID 98756044
(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120788413
3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784341
3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride
CID 119784027
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223926
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
4-(1-hydroxyethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 111438395
3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119842264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride (CID 119734117) is 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride is CC(CNC(=O)C1CCCC(N)C1)Cn1cccn1.Cl.
What is the InChIKey of 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OWJQEIUMTXHGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-11(10-18-7-3-6-17-18)9-16-14(19)12-4-2-5-13(15)8-12;/h3,6-7,11-13H,2,4-5,8-10,15H2,1H3,(H,16,19);1H.
What are the key properties of 3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.57, 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)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119734117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).