5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C17H13F3N4O — CID 108793336

IUPAC5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(F)(F)F)cnn1-c1ccccn1
InChIInChI=1S/C17H13F3N4O/c1-11-12(10-22-24(11)15-8-4-5-9-21-15)16(25)23-14-7-3-2-6-13(14)17(18,19)20/h2-10H,1H3,(H,23,25)
InChIKeyAYDSXGBXCVUXSZ-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.85
Rot. Bonds3

About 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 108793336) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID108793336
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(F)(F)F)cnn1-c1ccccn1
InChIInChI=1S/C17H13F3N4O/c1-11-12(10-22-24(11)15-8-4-5-9-21-15)16(25)23-14-7-3-2-6-13(14)17(18,19)20/h2-10H,1H3,(H,23,25)
InChIKeyAYDSXGBXCVUXSZ-UHFFFAOYSA-N
XLogP3.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 139004120
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-ethyl-6-methylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825168
N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 154806253
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
5-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 34761380

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 108793336) is 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cnn1-c1ccccn1.
What is the InChIKey of 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is AYDSXGBXCVUXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-11-12(10-22-24(11)15-8-4-5-9-21-15)16(25)23-14-7-3-2-6-13(14)17(18,19)20/h2-10H,1H3,(H,23,25).
What are the key properties of 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 108793336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).