1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H8Cl3F3N4O — CID 87459787

IUPAC1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C16H8Cl3F3N4O/c17-8-3-4-11(10(19)6-8)24-15(27)12-7-13(16(20,21)22)25-26(12)14-9(18)2-1-5-23-14/h1-7H,(H,24,27)
InChIKeyIYPAPRRNUCGNKP-UHFFFAOYSA-N
MW435.62 g/mol
LogP5.50
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 87459787) has the molecular formula C16H8Cl3F3N4O and a molecular weight of 435.62 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID87459787
Molecular FormulaC16H8Cl3F3N4O
Molecular Weight435.62 g/mol
Exact Mass433.97
IUPAC Name1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C16H8Cl3F3N4O/c17-8-3-4-11(10(19)6-8)24-15(27)12-7-13(16(20,21)22)25-26(12)14-9(18)2-1-5-23-14/h1-7H,(H,24,27)
InChIKeyIYPAPRRNUCGNKP-UHFFFAOYSA-N
XLogP5.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[amino(formyl)amino]-4-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 174556945
N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 152573475
[[4-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]benzoyl]amino]-(dimethylamino)azanide;yttrium
CID 145498197
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-[hydroxy(methylamino)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 163641538
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
N-(4-chloro-2-methyl-6-methylsulfinylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 139391840
N-[2-chloro-6-(cyclobutylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59393576
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58899289
N-[2-[amino(formyl)amino]-6-chlorophenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 175374719
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 87459787) is 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IYPAPRRNUCGNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3F3N4O/c17-8-3-4-11(10(19)6-8)24-15(27)12-7-13(16(20,21)22)25-26(12)14-9(18)2-1-5-23-14/h1-7H,(H,24,27).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 435.62 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 87459787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).