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

C19H19N3O2 — CID 19400896

IUPAC4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-4-3-5-15(12-14)13-22-11-10-18(21-22)20-19(23)16-6-8-17(24-2)9-7-16/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeyPTUNTDNNDYSTTO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.50
Rot. Bonds5

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

4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19400896) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19400896
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-4-3-5-15(12-14)13-22-11-10-18(21-22)20-19(23)16-6-8-17(24-2)9-7-16/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeyPTUNTDNNDYSTTO-UHFFFAOYSA-N
XLogP3.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400990
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400902
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
CID 136533551
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19401028
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19398875
1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19276281
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 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19400896) is 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is PTUNTDNNDYSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-4-3-5-15(12-14)13-22-11-10-18(21-22)20-19(23)16-6-8-17(24-2)9-7-16/h3-12H,13H2,1-2H3,(H,20,21,23).
What are the key properties of 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19400896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).