N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide

C21H23N3O — CID 46087809

IUPACN-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-16(2)13-14-21(25)22-20-15-19(17-9-5-3-6-10-17)23-24(20)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,25)
InChIKeyFWDGQSUVQQVRKC-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.91
Rot. Bonds6

About N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide

N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide (PubChem CID 46087809) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
PubChem CID46087809
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-16(2)13-14-21(25)22-20-15-19(17-9-5-3-6-10-17)23-24(20)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,25)
InChIKeyFWDGQSUVQQVRKC-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
2-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 51243459
ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
CID 42732122
2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485
N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide
CID 3976771
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 3972120
2-(dimethylamino)-N-(1,3-diphenylpyrazol-5-yl)propanamide;hydron;chloride
CID 67108596

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide (CID 46087809) is N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide is CC(C)CCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide?
The InChIKey is FWDGQSUVQQVRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16(2)13-14-21(25)22-20-15-19(17-9-5-3-6-10-17)23-24(20)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide?
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide has a molecular weight of 333.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide is sourced from PubChem (CID 46087809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).