N-(1-benzylpyrazol-3-yl)-3-methylbenzamide

C18H17N3O — CID 19286119

IUPACN-(1-benzylpyrazol-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccn(Cc3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O/c1-14-6-5-9-16(12-14)18(22)19-17-10-11-21(20-17)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,20,22)
InChIKeyKKUSENXDKPVJSC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.49
Rot. Bonds4

About N-(1-benzylpyrazol-3-yl)-3-methylbenzamide

N-(1-benzylpyrazol-3-yl)-3-methylbenzamide (PubChem CID 19286119) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-3-methylbenzamide
PubChem CID19286119
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(1-benzylpyrazol-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccn(Cc3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O/c1-14-6-5-9-16(12-14)18(22)19-17-10-11-21(20-17)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,20,22)
InChIKeyKKUSENXDKPVJSC-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpyrazol-3-yl)-3-methylbenzamide 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-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19286281
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19281654

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-3-methylbenzamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-3-methylbenzamide (CID 19286119) is N-(1-benzylpyrazol-3-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-3-methylbenzamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccn(Cc3ccccc3)n2)c1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-3-methylbenzamide?
The InChIKey is KKUSENXDKPVJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14-6-5-9-16(12-14)18(22)19-17-10-11-21(20-17)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,20,22).
What are the key properties of N-(1-benzylpyrazol-3-yl)-3-methylbenzamide?
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-3-methylbenzamide is sourced from PubChem (CID 19286119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).