5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

C24H16Cl2N6O2 — CID 118505210

IUPAC5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESN#CCc1ccc(Cl)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C24H16Cl2N6O2/c25-18-8-6-14(22-19(26)9-7-15(29-22)10-11-27)12-17(18)24(34)30-21-13-20(23(28)33)31-32(21)16-4-2-1-3-5-16/h1-9,12-13H,10H2,(H2,28,33)(H,30,34)
InChIKeyJWWMHVQQOFJKMF-UHFFFAOYSA-N
MW491.34 g/mol
LogP4.66
Rot. Bonds6

About 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118505210) has the molecular formula C24H16Cl2N6O2 and a molecular weight of 491.34 g/mol. Its IUPAC name is 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118505210
Molecular FormulaC24H16Cl2N6O2
Molecular Weight491.34 g/mol
Exact Mass490.07
IUPAC Name5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESN#CCc1ccc(Cl)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C24H16Cl2N6O2/c25-18-8-6-14(22-19(26)9-7-15(29-22)10-11-27)12-17(18)24(34)30-21-13-20(23(28)33)31-32(21)16-4-2-1-3-5-16/h1-9,12-13H,10H2,(H2,28,33)(H,30,34)
InChIKeyJWWMHVQQOFJKMF-UHFFFAOYSA-N
XLogP4.66
TPSA126.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.34
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118505210) is 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is N#CCc1ccc(Cl)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1.
What is the InChIKey of 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is JWWMHVQQOFJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N6O2/c25-18-8-6-14(22-19(26)9-7-15(29-22)10-11-27)12-17(18)24(34)30-21-13-20(23(28)33)31-32(21)16-4-2-1-3-5-16/h1-9,12-13H,10H2,(H2,28,33)(H,30,34).
What are the key properties of 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 491.34 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118505210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).