1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide

C19H24ClN3O2 — CID 55924641

IUPAC1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
SMILESCC1CCCCC1OCCNC(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H24ClN3O2/c1-14-5-2-3-8-18(14)25-12-10-21-19(24)17-9-11-23(22-17)16-7-4-6-15(20)13-16/h4,6-7,9,11,13-14,18H,2-3,5,8,10,12H2,1H3,(H,21,24)
InChIKeyTTZCSINMQJMONM-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.85
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide (PubChem CID 55924641) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
PubChem CID55924641
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
SMILESCC1CCCCC1OCCNC(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H24ClN3O2/c1-14-5-2-3-8-18(14)25-12-10-21-19(24)17-9-11-23(22-17)16-7-4-6-15(20)13-16/h4,6-7,9,11,13-14,18H,2-3,5,8,10,12H2,1H3,(H,21,24)
InChIKeyTTZCSINMQJMONM-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
CID 55779851
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
1-(3-chlorophenyl)-N-cyclopropyl-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
CID 55924760
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
7-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 52530334
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
CID 55724392
4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229443
1-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700613
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide (CID 55924641) is 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide is CC1CCCCC1OCCNC(=O)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide?
The InChIKey is TTZCSINMQJMONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-14-5-2-3-8-18(14)25-12-10-21-19(24)17-9-11-23(22-17)16-7-4-6-15(20)13-16/h4,6-7,9,11,13-14,18H,2-3,5,8,10,12H2,1H3,(H,21,24).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55924641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).