3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide

C22H25N3O — CID 53058845

IUPAC3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2cn(C)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H25N3O/c1-16-4-8-18(9-5-16)14-23-21(26)13-12-20-15-25(3)24-22(20)19-10-6-17(2)7-11-19/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChIKeyOBJSIKLJVZKFPV-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.95
Rot. Bonds6

About 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide

3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 53058845) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID53058845
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2cn(C)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H25N3O/c1-16-4-8-18(9-5-16)14-23-21(26)13-12-20-15-25(3)24-22(20)19-10-6-17(2)7-11-19/h4-11,15H,12-14H2,1-3H3,(H,23,26)
InChIKeyOBJSIKLJVZKFPV-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide 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-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046
N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide
CID 53058883
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53033057
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033035
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95065889
N-benzyl-2-[[4-methyl-5-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53127833
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide (CID 53058845) is 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2cn(C)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is OBJSIKLJVZKFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-4-8-18(9-5-16)14-23-21(26)13-12-20-15-25(3)24-22(20)19-10-6-17(2)7-11-19/h4-11,15H,12-14H2,1-3H3,(H,23,26).
What are the key properties of 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide?
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 53058845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).