1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide

C26H25N3O3 — CID 112772180

IUPAC1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C26H25N3O3/c1-18-12-13-24(32-3)23(14-18)27-26(30)22-17-29(16-19-8-5-4-6-9-19)28-25(22)20-10-7-11-21(15-20)31-2/h4-15,17H,16H2,1-3H3,(H,27,30)
InChIKeyHZJMQPWZEJLWEY-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.18
Rot. Bonds7

About 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 112772180) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID112772180
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C26H25N3O3/c1-18-12-13-24(32-3)23(14-18)27-26(30)22-17-29(16-19-8-5-4-6-9-19)28-25(22)20-10-7-11-21(15-20)31-2/h4-15,17H,16H2,1-3H3,(H,27,30)
InChIKeyHZJMQPWZEJLWEY-UHFFFAOYSA-N
XLogP5.18
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
1-benzyl-3-(3-methoxyphenyl)-N-(2-methyl-3-nitrophenyl)pyrazole-4-carboxamide
CID 112772186
1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 55382205
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-3-(3-methoxyphenyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 55619315
1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 51188630
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 46612038
1-benzyl-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 27514913
1-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 120653115
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
methyl 4-[2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 55512860
methyl 3-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-4-methylbenzoate
CID 18288690

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide (CID 112772180) is 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide is COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cc(C)ccc2OC)c1.
What is the InChIKey of 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is HZJMQPWZEJLWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-12-13-24(32-3)23(14-18)27-26(30)22-17-29(16-19-8-5-4-6-9-19)28-25(22)20-10-7-11-21(15-20)31-2/h4-15,17H,16H2,1-3H3,(H,27,30).
What are the key properties of 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112772180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).