1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C14H14F3N3O — CID 175836227

IUPAC1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1-n1ncc(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-8(2)9-5-3-4-6-11(9)20-12(14(15,16)17)10(7-19-20)13(18)21/h3-8H,1-2H3,(H2,18,21)
InChIKeyUCRIRFQFBFTXJW-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.11
Rot. Bonds3

About 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 175836227) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID175836227
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1-n1ncc(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-8(2)9-5-3-4-6-11(9)20-12(14(15,16)17)10(7-19-20)13(18)21/h3-8H,1-2H3,(H2,18,21)
InChIKeyUCRIRFQFBFTXJW-UHFFFAOYSA-N
XLogP3.11
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836222
1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836206
1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175112533
5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458
5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82361158
1-(2-ethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboximidamide
CID 82527737
1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 11142236
1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 141317711
2-[[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119358426
ethyl 1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146285518
2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide
CID 154147685
1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 82527528

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 175836227) is 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)c1ccccc1-n1ncc(C(N)=O)c1C(F)(F)F.
What is the InChIKey of 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UCRIRFQFBFTXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8(2)9-5-3-4-6-11(9)20-12(14(15,16)17)10(7-19-20)13(18)21/h3-8H,1-2H3,(H2,18,21).
What are the key properties of 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175836227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).