2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide

C19H19N3O3 — CID 154837597

IUPAC2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn(-c2ccccc2)nc1C
InChIInChI=1S/C19H19N3O3/c1-13-15(12-22(21-13)14-8-5-4-6-9-14)20-19(23)18-16(24-2)10-7-11-17(18)25-3/h4-12H,1-3H3,(H,20,23)
InChIKeyOQXPKOWLHYNSEQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.45
Rot. Bonds5

About 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide

2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide (PubChem CID 154837597) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
PubChem CID154837597
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn(-c2ccccc2)nc1C
InChIInChI=1S/C19H19N3O3/c1-13-15(12-22(21-13)14-8-5-4-6-9-14)20-19(23)18-16(24-2)10-7-11-17(18)25-3/h4-12H,1-3H3,(H,20,23)
InChIKeyOQXPKOWLHYNSEQ-UHFFFAOYSA-N
XLogP3.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 146096937
methyl (3-methyl-1-phenylpyrazol-4-yl) carbonate
CID 67453633
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55714348
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341646
N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27844853
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide
CID 39964657
4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-1-phenylpyrazole-3-carboxamide
CID 167751714
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide (CID 154837597) is 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1cn(-c2ccccc2)nc1C.
What is the InChIKey of 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide?
The InChIKey is OQXPKOWLHYNSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-15(12-22(21-13)14-8-5-4-6-9-14)20-19(23)18-16(24-2)10-7-11-17(18)25-3/h4-12H,1-3H3,(H,20,23).
What are the key properties of 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide?
2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 154837597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).