2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C11H9F3N4O — CID 99819963

IUPAC2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H9F3N4O/c1-18-8(3-5-16-18)10(19)17-9-6-7(2-4-15-9)11(12,13)14/h2-6H,1H3,(H,15,17,19)
InChIKeyMAIKTXMVRJCCSB-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 99819963) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID99819963
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H9F3N4O/c1-18-8(3-5-16-18)10(19)17-9-6-7(2-4-15-9)11(12,13)14/h2-6H,1H3,(H,15,17,19)
InChIKeyMAIKTXMVRJCCSB-UHFFFAOYSA-N
XLogP2.09
TPSA59.81 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475694
2-methyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 6468673
2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
CID 137498224
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940
4-bromo-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 86727855
2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 99819963) is 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is MAIKTXMVRJCCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-18-8(3-5-16-18)10(19)17-9-6-7(2-4-15-9)11(12,13)14/h2-6H,1H3,(H,15,17,19).
What are the key properties of 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 99819963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).