3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

C19H25N3O2 — CID 102555688

IUPAC3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)C1CC(C(=O)NC2(C)CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14(23)17-13-16(21-22(17)15-9-5-3-6-10-15)18(24)20-19(2)11-7-4-8-12-19/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,20,24)
InChIKeyKYUQCXCWFQHVJU-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.05
Rot. Bonds4

About 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 102555688) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID102555688
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)C1CC(C(=O)NC2(C)CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14(23)17-13-16(21-22(17)15-9-5-3-6-10-15)18(24)20-19(2)11-7-4-8-12-19/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,20,24)
InChIKeyKYUQCXCWFQHVJU-UHFFFAOYSA-N
XLogP3.05
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 16348411
1-Phenyl-3-(N-phenylcarbamoyl)-2-pyrazolin-4-one
CID 3568986
N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 940465
N-(4-methylcyclohexyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 45761280
4-[2-(3,3-dimethyl-5-oxocyclohexylidene)hydrazino]-4-oxo-N-phenylbutanamide
CID 5349687
2-(3-Imino-1-phenyl-4-pyrazolidinyl)-N-(2-methylphenyl)-2-oxoacetamide
CID 361448
(3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51934347
1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-6-oxo-N-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 53336309
3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 141231052
1-Methyl-3-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione
CID 16108365
2-[(3S,4S)-5-acetyl-2,4-diphenyl-3,4-dihydropyrazol-3-yl]-N-tert-butylacetamide
CID 168351428
(3R)-5-N-(3-ethylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 25472935

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 102555688) is 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide is CC(=O)C1CC(C(=O)NC2(C)CCCCC2)=NN1c1ccccc1.
What is the InChIKey of 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is KYUQCXCWFQHVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(23)17-13-16(21-22(17)15-9-5-3-6-10-15)18(24)20-19(2)11-7-4-8-12-19/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,20,24).
What are the key properties of 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(1-methylcyclohexyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 102555688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).