N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C31H27N3O3 — CID 156904364

IUPACN-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H27N3O3/c1-21-9-12-23(13-10-21)30-27(20-34(33-30)25-7-5-4-6-8-25)31(35)32-24-14-16-26(17-15-24)37-28-18-11-22(2)19-29(28)36-3/h4-20H,1-3H3,(H,32,35)
InChIKeyUDNZVQUEORVNDJ-UHFFFAOYSA-N
MW489.58 g/mol
LogP7.21
Rot. Bonds7

About N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 156904364) has the molecular formula C31H27N3O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID156904364
Molecular FormulaC31H27N3O3
Molecular Weight489.58 g/mol
Exact Mass489.21
IUPAC NameN-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H27N3O3/c1-21-9-12-23(13-10-21)30-27(20-34(33-30)25-7-5-4-6-8-25)31(35)32-24-14-16-26(17-15-24)37-28-18-11-22(2)19-29(28)36-3/h4-20H,1-3H3,(H,32,35)
InChIKeyUDNZVQUEORVNDJ-UHFFFAOYSA-N
XLogP7.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55725584
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
ethyl 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 1340433
3-(3-methylphenyl)-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide
CID 26101953
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 156904364) is N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is COc1cc(C)ccc1Oc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is UDNZVQUEORVNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O3/c1-21-9-12-23(13-10-21)30-27(20-34(33-30)25-7-5-4-6-8-25)31(35)32-24-14-16-26(17-15-24)37-28-18-11-22(2)19-29(28)36-3/h4-20H,1-3H3,(H,32,35).
What are the key properties of N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 7.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 156904364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).