N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H9ClF3N3O — CID 2726978

IUPACN-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClF3N3O/c1-19-9(6-10(18-19)12(14,15)16)11(20)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,20)
InChIKeyYMWOJLWDAUWQKR-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.34
Rot. Bonds2

About N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 2726978) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID2726978
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC NameN-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClF3N3O/c1-19-9(6-10(18-19)12(14,15)16)11(20)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,20)
InChIKeyYMWOJLWDAUWQKR-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 2726978) is N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YMWOJLWDAUWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c1-19-9(6-10(18-19)12(14,15)16)11(20)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 303.67 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 2726978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).