N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H19Cl2F3N6O2 — CID 24808532

IUPACN-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(=O)NC(C)(C#N)C2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C24H19Cl2F3N6O2/c1-12-8-14(25)9-15(21(36)33-23(2,11-30)13-5-6-13)19(12)32-22(37)17-10-18(24(27,28)29)34-35(17)20-16(26)4-3-7-31-20/h3-4,7-10,13H,5-6H2,1-2H3,(H,32,37)(H,33,36)
InChIKeyLJAGRFSARBSRFW-UHFFFAOYSA-N
MW551.36 g/mol
LogP5.58
Rot. Bonds6

About N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 24808532) has the molecular formula C24H19Cl2F3N6O2 and a molecular weight of 551.36 g/mol. Its IUPAC name is N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID24808532
Molecular FormulaC24H19Cl2F3N6O2
Molecular Weight551.36 g/mol
Exact Mass550.09
IUPAC NameN-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(=O)NC(C)(C#N)C2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C24H19Cl2F3N6O2/c1-12-8-14(25)9-15(21(36)33-23(2,11-30)13-5-6-13)19(12)32-22(37)17-10-18(24(27,28)29)34-35(17)20-16(26)4-3-7-31-20/h3-4,7-10,13H,5-6H2,1-2H3,(H,32,37)(H,33,36)
InChIKeyLJAGRFSARBSRFW-UHFFFAOYSA-N
XLogP5.58
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.36
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-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 N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 24808532) is N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(Cl)cc(C(=O)NC(C)(C#N)C2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LJAGRFSARBSRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N6O2/c1-12-8-14(25)9-15(21(36)33-23(2,11-30)13-5-6-13)19(12)32-22(37)17-10-18(24(27,28)29)34-35(17)20-16(26)4-3-7-31-20/h3-4,7-10,13H,5-6H2,1-2H3,(H,32,37)(H,33,36).
What are the key properties of N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 551.36 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24808532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).