1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C11H9F3N4O — CID 175112533

IUPAC1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cnccc1-n1ncc(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c1-6-4-16-3-2-8(6)18-9(11(12,13)14)7(5-17-18)10(15)19/h2-5H,1H3,(H2,15,19)
InChIKeyBITJCXTVYJYGDL-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.69
Rot. Bonds2

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

1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 175112533) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID175112533
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cnccc1-n1ncc(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c1-6-4-16-3-2-8(6)18-9(11(12,13)14)7(5-17-18)10(15)19/h2-5H,1H3,(H2,15,19)
InChIKeyBITJCXTVYJYGDL-UHFFFAOYSA-N
XLogP1.69
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836222
1-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836227
1-(2-cyclopropylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175836206
N-(2-amino-2-methylpropyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119630562
ethyl 1-(2-chloro-3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146285563
azocan-1-yl-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55604786
1-[1-(2-methoxy-3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 157185580
(4-aminopiperidin-1-yl)-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119376801
1-(4,5-dichloro-2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 163322133
(2-hydroxyphenyl)-[4-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55850609
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55608072
N-[3-(difluoromethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55778864

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 175112533) is 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cnccc1-n1ncc(C(N)=O)c1C(F)(F)F.
What is the InChIKey of 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BITJCXTVYJYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-6-4-16-3-2-8(6)18-9(11(12,13)14)7(5-17-18)10(15)19/h2-5H,1H3,(H2,15,19).
What are the key properties of 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175112533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).