4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide

C34H26N4O2 — CID 127041396

IUPAC4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C34H26N4O2/c1-23-29(30(24-14-6-2-7-15-24)31(35-23)25-16-8-3-9-17-25)33(39)28-22-38(27-20-12-5-13-21-27)37-32(28)34(40)36-26-18-10-4-11-19-26/h2-22,35H,1H3,(H,36,40)
InChIKeyJJCCJOXLGQVFLN-UHFFFAOYSA-N
MW522.61 g/mol
LogP7.33
Rot. Bonds7

About 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide

4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide (PubChem CID 127041396) has the molecular formula C34H26N4O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
PubChem CID127041396
Molecular FormulaC34H26N4O2
Molecular Weight522.61 g/mol
Exact Mass522.21
IUPAC Name4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C34H26N4O2/c1-23-29(30(24-14-6-2-7-15-24)31(35-23)25-16-8-3-9-17-25)33(39)28-22-38(27-20-12-5-13-21-27)37-32(28)34(40)36-26-18-10-4-11-19-26/h2-22,35H,1H3,(H,36,40)
InChIKeyJJCCJOXLGQVFLN-UHFFFAOYSA-N
XLogP7.33
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-chlorophenyl)-4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)pyrazole-3-carboxylate
CID 127038729
4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
CID 139231542
3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide
CID 2822576
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
methyl 2-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxoacetate
CID 122401334
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide (CID 127041396) is 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide is Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide?
The InChIKey is JJCCJOXLGQVFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O2/c1-23-29(30(24-14-6-2-7-15-24)31(35-23)25-16-8-3-9-17-25)33(39)28-22-38(27-20-12-5-13-21-27)37-32(28)34(40)36-26-18-10-4-11-19-26/h2-22,35H,1H3,(H,36,40).
What are the key properties of 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide?
4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide has a molecular weight of 522.61 g/mol, XLogP of 7.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 127041396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).