5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C13H8ClF6N3O — CID 2780329

IUPAC5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C13H8ClF6N3O/c1-23-10(14)8(9(22-23)13(18,19)20)11(24)21-7-4-2-6(3-5-7)12(15,16)17/h2-5H,1H3,(H,21,24)
InChIKeyARNKONOSMZFURP-UHFFFAOYSA-N
MW371.67 g/mol
LogP4.36
Rot. Bonds2

About 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 2780329) has the molecular formula C13H8ClF6N3O and a molecular weight of 371.67 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID2780329
Molecular FormulaC13H8ClF6N3O
Molecular Weight371.67 g/mol
Exact Mass371.03
IUPAC Name5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C13H8ClF6N3O/c1-23-10(14)8(9(22-23)13(18,19)20)11(24)21-7-4-2-6(3-5-7)12(15,16)17/h2-5H,1H3,(H,21,24)
InChIKeyARNKONOSMZFURP-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 2780329) is 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ARNKONOSMZFURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF6N3O/c1-23-10(14)8(9(22-23)13(18,19)20)11(24)21-7-4-2-6(3-5-7)12(15,16)17/h2-5H,1H3,(H,21,24).
What are the key properties of 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 371.67 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 2780329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).