N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide

C26H18N6O — CID 19281419

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H18N6O/c27-16-20-17-28-32(22-14-8-3-9-15-22)25(20)29-26(33)23-18-31(21-12-6-2-7-13-21)30-24(23)19-10-4-1-5-11-19/h1-15,17-18H,(H,29,33)
InChIKeyOKXUFQKDQVBVTK-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.85
Rot. Bonds5

About N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide

N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281419) has the molecular formula C26H18N6O and a molecular weight of 430.47 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281419
Molecular FormulaC26H18N6O
Molecular Weight430.47 g/mol
Exact Mass430.15
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H18N6O/c27-16-20-17-28-32(22-14-8-3-9-15-22)25(20)29-26(33)23-18-31(21-12-6-2-7-13-21)30-24(23)19-10-4-1-5-11-19/h1-15,17-18H,(H,29,33)
InChIKeyOKXUFQKDQVBVTK-UHFFFAOYSA-N
XLogP4.85
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-cyano-1-phenylpyrazol-5-yl)carbamoyl]benzoate
CID 108798676
N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474111
N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
CID 19281155
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281708
4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480531
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 46438991
1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
CID 139226268
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 19473841
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide (CID 19281419) is N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is OKXUFQKDQVBVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O/c27-16-20-17-28-32(22-14-8-3-9-15-22)25(20)29-26(33)23-18-31(21-12-6-2-7-13-21)30-24(23)19-10-4-1-5-11-19/h1-15,17-18H,(H,29,33).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).