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

C21H23N3O — CID 53033046

IUPACN-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
SMILESCc1ccc(-c2nn(C)cc2CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-16-8-10-18(11-9-16)21-19(15-24(2)23-21)12-13-20(25)22-14-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyQHCRNIBFQLZUQT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.64
Rot. Bonds6

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

N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide (PubChem CID 53033046) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
PubChem CID53033046
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
SMILESCc1ccc(-c2nn(C)cc2CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-16-8-10-18(11-9-16)21-19(15-24(2)23-21)12-13-20(25)22-14-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyQHCRNIBFQLZUQT-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845
N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide
CID 53058883
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033035
N-benzyl-2-[[4-methyl-5-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53127833
N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95065889
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-[3-[benzyl(methyl)amino]propyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295810
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53033057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide?
The IUPAC name of N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide (CID 53033046) is N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide is Cc1ccc(-c2nn(C)cc2CCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide?
The InChIKey is QHCRNIBFQLZUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-8-10-18(11-9-16)21-19(15-24(2)23-21)12-13-20(25)22-14-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide?
N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide has a molecular weight of 333.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 53033046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).