4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide

C33H25N5O2 — CID 24936118

IUPAC4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C(=O)Nc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C33H25N5O2/c1-23-29(31(33(40)34-25-16-8-3-9-17-25)36-38(23)27-20-12-5-13-21-27)32(39)28-22-37(26-18-10-4-11-19-26)35-30(28)24-14-6-2-7-15-24/h2-22H,1H3,(H,34,40)
InChIKeyZHTXCWWAKVIRDS-UHFFFAOYSA-N
MW523.60 g/mol
LogP6.52
Rot. Bonds7

About 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide

4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide (PubChem CID 24936118) has the molecular formula C33H25N5O2 and a molecular weight of 523.60 g/mol. Its IUPAC name is 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
PubChem CID24936118
Molecular FormulaC33H25N5O2
Molecular Weight523.60 g/mol
Exact Mass523.20
IUPAC Name4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C(=O)Nc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C33H25N5O2/c1-23-29(31(33(40)34-25-16-8-3-9-17-25)36-38(23)27-20-12-5-13-21-27)32(39)28-22-37(26-18-10-4-11-19-26)35-30(28)24-14-6-2-7-15-24/h2-22H,1H3,(H,34,40)
InChIKeyZHTXCWWAKVIRDS-UHFFFAOYSA-N
XLogP6.52
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide (CID 24936118) is 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide is Cc1c(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C(=O)Nc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide?
The InChIKey is ZHTXCWWAKVIRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O2/c1-23-29(31(33(40)34-25-16-8-3-9-17-25)36-38(23)27-20-12-5-13-21-27)32(39)28-22-37(26-18-10-4-11-19-26)35-30(28)24-14-6-2-7-15-24/h2-22H,1H3,(H,34,40).
What are the key properties of 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide?
4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide has a molecular weight of 523.60 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 24936118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).