N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H10Cl2F3N5O — CID 152573475

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C16H10Cl2F3N5O/c1-8-5-13(18)23-7-10(8)24-15(27)11-6-12(16(19,20)21)25-26(11)14-9(17)3-2-4-22-14/h2-7H,1H3,(H,24,27)
InChIKeyYRZGQUQXZHPJNZ-UHFFFAOYSA-N
MW416.19 g/mol
LogP4.55
Rot. Bonds3

About N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 152573475) has the molecular formula C16H10Cl2F3N5O and a molecular weight of 416.19 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID152573475
Molecular FormulaC16H10Cl2F3N5O
Molecular Weight416.19 g/mol
Exact Mass415.02
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C16H10Cl2F3N5O/c1-8-5-13(18)23-7-10(8)24-15(27)11-6-12(16(19,20)21)25-26(11)14-9(17)3-2-4-22-14/h2-7H,1H3,(H,24,27)
InChIKeyYRZGQUQXZHPJNZ-UHFFFAOYSA-N
XLogP4.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 87459787
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670332
N-(4-chloro-2-methyl-6-methylsulfinylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 139391840
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58899289
[[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium
CID 145498197
amino-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3,5-dimethylbenzoyl]azanide;ethane;methanol;yttrium
CID 145498277
N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 174556945
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
CID 159513798
N-[2-[amino(formyl)amino]-6-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 175374719

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 152573475) is N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(Cl)ncc1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YRZGQUQXZHPJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N5O/c1-8-5-13(18)23-7-10(8)24-15(27)11-6-12(16(19,20)21)25-26(11)14-9(17)3-2-4-22-14/h2-7H,1H3,(H,24,27).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 416.19 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 152573475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).