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

C17H11Cl2F3N4O — CID 86606804

IUPAC4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cccc(Cl)c1-c1c(C(F)(F)F)nn(-c2ncccc2Cl)c1C(N)=O
InChIInChI=1S/C17H11Cl2F3N4O/c1-8-4-2-5-9(18)11(8)12-13(15(23)27)26(25-14(12)17(20,21)22)16-10(19)6-3-7-24-16/h2-7H,1H3,(H2,23,27)
InChIKeyMUFBCJYPKWRHJA-UHFFFAOYSA-N
MW415.20 g/mol
LogP4.67
Rot. Bonds3

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

4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 86606804) has the molecular formula C17H11Cl2F3N4O and a molecular weight of 415.20 g/mol. Its IUPAC name is 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID86606804
Molecular FormulaC17H11Cl2F3N4O
Molecular Weight415.20 g/mol
Exact Mass414.03
IUPAC Name4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cccc(Cl)c1-c1c(C(F)(F)F)nn(-c2ncccc2Cl)c1C(N)=O
InChIInChI=1S/C17H11Cl2F3N4O/c1-8-4-2-5-9(18)11(8)12-13(15(23)27)26(25-14(12)17(20,21)22)16-10(19)6-3-7-24-16/h2-7H,1H3,(H2,23,27)
InChIKeyMUFBCJYPKWRHJA-UHFFFAOYSA-N
XLogP4.67
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.20
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-4-phenylpyrazole-5-carboxamide
CID 175813814
4-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(fluoromethoxy)pyrazole-5-carboxamide
CID 153455226
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
[1-(3-chloro-2-pyridinyl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-hydroperoxymethanol
CID 90970895
2-[2-[3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-2-oxoethyl]-5-iodo-3-methylbenzamide
CID 58507216
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
1-[1-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]ethanone
CID 141002934
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 141062484
3-bromo-4-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 141331734
1-[5-tert-butyl-1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2,2,2-trifluoroethanone
CID 70791411
ethyl 3-bromo-1-(3-chloro-2-pyridinyl)-5-methylpyrazole-4-carboxylate
CID 155213094
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 86606804) is 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cccc(Cl)c1-c1c(C(F)(F)F)nn(-c2ncccc2Cl)c1C(N)=O.
What is the InChIKey of 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MUFBCJYPKWRHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N4O/c1-8-4-2-5-9(18)11(8)12-13(15(23)27)26(25-14(12)17(20,21)22)16-10(19)6-3-7-24-16/h2-7H,1H3,(H2,23,27).
What are the key properties of 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 415.20 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 86606804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).