3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide

C19H26N4O — CID 120611478

IUPAC3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
SMILESCn1nc(C2CCCCC2)cc1NC(=O)CCc1ccccc1N
InChIInChI=1S/C19H26N4O/c1-23-18(13-17(22-23)15-8-3-2-4-9-15)21-19(24)12-11-14-7-5-6-10-16(14)20/h5-7,10,13,15H,2-4,8-9,11-12,20H2,1H3,(H,21,24)
InChIKeyCMCJNABNRUMYBS-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.62
Rot. Bonds5

About 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide

3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide (PubChem CID 120611478) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
PubChem CID120611478
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
SMILESCn1nc(C2CCCCC2)cc1NC(=O)CCc1ccccc1N
InChIInChI=1S/C19H26N4O/c1-23-18(13-17(22-23)15-8-3-2-4-9-15)21-19(24)12-11-14-7-5-6-10-16(14)20/h5-7,10,13,15H,2-4,8-9,11-12,20H2,1H3,(H,21,24)
InChIKeyCMCJNABNRUMYBS-UHFFFAOYSA-N
XLogP3.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 119337699
3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride
CID 120609710
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
CID 71968697
N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide
CID 122143752
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide
CID 136564832
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide
CID 62406368

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide (CID 120611478) is 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide is Cn1nc(C2CCCCC2)cc1NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide?
The InChIKey is CMCJNABNRUMYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-23-18(13-17(22-23)15-8-3-2-4-9-15)21-19(24)12-11-14-7-5-6-10-16(14)20/h5-7,10,13,15H,2-4,8-9,11-12,20H2,1H3,(H,21,24).
What are the key properties of 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide?
3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide is sourced from PubChem (CID 120611478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).