1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

C11H9F3N4O — CID 1474579

IUPAC1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccnc2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O/c1-18-6-8(9(17-18)11(12,13)14)10(19)16-7-3-2-4-15-5-7/h2-6H,1H3,(H,16,19)
InChIKeyDQBHRLMMABWUDD-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.09
Rot. Bonds2

About 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 1474579) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID1474579
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccnc2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O/c1-18-6-8(9(17-18)11(12,13)14)10(19)16-7-3-2-4-15-5-7/h2-6H,1H3,(H,16,19)
InChIKeyDQBHRLMMABWUDD-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-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
CID 645025
N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
Pyrazole, 3,5-dimethyl-1-nicotinoyl-
CID 205203
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 831914
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850330

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 1474579) is 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccnc2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DQBHRLMMABWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-18-6-8(9(17-18)11(12,13)14)10(19)16-7-3-2-4-15-5-7/h2-6H,1H3,(H,16,19).
What are the key properties of 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-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 1-methyl-N-pyridin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 1474579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).