3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide

C26H25N3O4 — CID 26101953

IUPAC3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O4/c1-17-9-8-10-18(13-17)24-21(16-29(28-24)20-11-6-5-7-12-20)26(30)27-19-14-22(31-2)25(33-4)23(15-19)32-3/h5-16H,1-4H3,(H,27,30)
InChIKeyWEKRGMDHZLVQMS-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.13
Rot. Bonds7

About 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide

3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide (PubChem CID 26101953) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
PubChem CID26101953
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O4/c1-17-9-8-10-18(13-17)24-21(16-29(28-24)20-11-6-5-7-12-20)26(30)27-19-14-22(31-2)25(33-4)23(15-19)32-3/h5-16H,1-4H3,(H,27,30)
InChIKeyWEKRGMDHZLVQMS-UHFFFAOYSA-N
XLogP5.13
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 38396952
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 32942890
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55522864
N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 42282110

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide (CID 26101953) is 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide is COc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is WEKRGMDHZLVQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-17-9-8-10-18(13-17)24-21(16-29(28-24)20-11-6-5-7-12-20)26(30)27-19-14-22(31-2)25(33-4)23(15-19)32-3/h5-16H,1-4H3,(H,27,30).
What are the key properties of 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide?
3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26101953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).