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

C19H12ClF6N3O2 — CID 87445871

IUPAC1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H12ClF6N3O2/c1-28(13-3-2-4-14(9-13)31-19(24,25)26)17(30)15-10-27-29(16(15)18(21,22)23)12-7-5-11(20)6-8-12/h2-10H,1H3
InChIKeyGCXXMWLHHOLQOD-UHFFFAOYSA-N
MW463.77 g/mol
LogP5.72
Rot. Bonds4

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

1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87445871) has the molecular formula C19H12ClF6N3O2 and a molecular weight of 463.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87445871
Molecular FormulaC19H12ClF6N3O2
Molecular Weight463.77 g/mol
Exact Mass463.05
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H12ClF6N3O2/c1-28(13-3-2-4-14(9-13)31-19(24,25)26)17(30)15-10-27-29(16(15)18(21,22)23)12-7-5-11(20)6-8-12/h2-10H,1H3
InChIKeyGCXXMWLHHOLQOD-UHFFFAOYSA-N
XLogP5.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.77
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42817677
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827913
1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11474632
1-(4-chlorophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91357633
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-[[3-(cyanomethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86946548
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18226723
1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90978566
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46666819
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
1-(4-chlorophenyl)-N'-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 55454920

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 87445871) is 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GCXXMWLHHOLQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF6N3O2/c1-28(13-3-2-4-14(9-13)31-19(24,25)26)17(30)15-10-27-29(16(15)18(21,22)23)12-7-5-11(20)6-8-12/h2-10H,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 463.77 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87445871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).