2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide

C24H17Cl2F3N4O2 — CID 2781842

IUPAC2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2NC(=O)c2cc(Cl)nc(Cl)c2)cc1C
InChIInChI=1S/C24H17Cl2F3N4O2/c1-13-3-6-17(9-14(13)2)33-22(31-23(34)16-10-20(25)30-21(26)11-16)12-19(32-33)15-4-7-18(8-5-15)35-24(27,28)29/h3-12H,1-2H3,(H,31,34)
InChIKeyJOGKNUPSRVQKAK-UHFFFAOYSA-N
MW521.33 g/mol
LogP7.01
Rot. Bonds5

About 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide

2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide (PubChem CID 2781842) has the molecular formula C24H17Cl2F3N4O2 and a molecular weight of 521.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide
PubChem CID2781842
Molecular FormulaC24H17Cl2F3N4O2
Molecular Weight521.33 g/mol
Exact Mass520.07
IUPAC Name2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2NC(=O)c2cc(Cl)nc(Cl)c2)cc1C
InChIInChI=1S/C24H17Cl2F3N4O2/c1-13-3-6-17(9-14(13)2)33-22(31-23(34)16-10-20(25)30-21(26)11-16)12-19(32-33)15-4-7-18(8-5-15)35-24(27,28)29/h3-12H,1-2H3,(H,31,34)
InChIKeyJOGKNUPSRVQKAK-UHFFFAOYSA-N
XLogP7.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.33
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(3,4-Dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742774
N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1548665
N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4616036
N-[3-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-4-methylphenyl]-2-chloropyridine-4-carboxamide
CID 53326263
3-chloro-N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113793
N-(3,5-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4431817
5-[[2-Chloro-5-[6-(difluoromethoxy)pyridin-2-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505211
5-[[2-Chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505212
3-chloro-N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3124875
3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3124877
N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1046515
3-chloro-N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3124876

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide (CID 2781842) is 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide is Cc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2NC(=O)c2cc(Cl)nc(Cl)c2)cc1C.
What is the InChIKey of 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide?
The InChIKey is JOGKNUPSRVQKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N4O2/c1-13-3-6-17(9-14(13)2)33-22(31-23(34)16-10-20(25)30-21(26)11-16)12-19(32-33)15-4-7-18(8-5-15)35-24(27,28)29/h3-12H,1-2H3,(H,31,34).
What are the key properties of 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide?
2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide has a molecular weight of 521.33 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 2781842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).