1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide

C19H16F3N3O — CID 174542849

IUPAC1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(-c2ccccc2-c2ccccc2C(F)(F)F)c1C(N)=O
InChIInChI=1S/C19H16F3N3O/c1-11-16(18(23)26)17(25(2)24-11)14-9-4-3-7-12(14)13-8-5-6-10-15(13)19(20,21)22/h3-10H,1-2H3,(H2,23,26)
InChIKeyVGJWETUJIBIOKE-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.18
Rot. Bonds3

About 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide

1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (PubChem CID 174542849) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
PubChem CID174542849
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(-c2ccccc2-c2ccccc2C(F)(F)F)c1C(N)=O
InChIInChI=1S/C19H16F3N3O/c1-11-16(18(23)26)17(25(2)24-11)14-9-4-3-7-12(14)13-8-5-6-10-15(13)19(20,21)22/h3-10H,1-2H3,(H2,23,26)
InChIKeyVGJWETUJIBIOKE-UHFFFAOYSA-N
XLogP4.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174557279
3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542921
1,3-dimethyl-5-[2-phenyl-6-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 174542850
5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 175074764
5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68570369
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
6-methyl-5-nitro-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 71179155
[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanamine
CID 112593887
4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
CID 143921086
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542848
1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 35283624

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (CID 174542849) is 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is Cc1nn(C)c(-c2ccccc2-c2ccccc2C(F)(F)F)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is VGJWETUJIBIOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-11-16(18(23)26)17(25(2)24-11)14-9-4-3-7-12(14)13-8-5-6-10-15(13)19(20,21)22/h3-10H,1-2H3,(H2,23,26).
What are the key properties of 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174542849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).