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

C13H13F3N4O — CID 58270515

IUPAC3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2cccnc2)cc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C13H13F3N4O/c1-9-11(12(21)18-6-4-13(14,15)16)8-20(19-9)10-3-2-5-17-7-10/h2-3,5,7-8H,4,6H2,1H3,(H,18,21)
InChIKeyYCMIVXAVXBOKFN-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.26
Rot. Bonds4

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

3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 58270515) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID58270515
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2cccnc2)cc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C13H13F3N4O/c1-9-11(12(21)18-6-4-13(14,15)16)8-20(19-9)10-3-2-5-17-7-10/h2-3,5,7-8H,4,6H2,1H3,(H,18,21)
InChIKeyYCMIVXAVXBOKFN-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.26
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-(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
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
N-(3,5-difluorophenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850668
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide
CID 24816597
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (CID 58270515) is 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is Cc1nn(-c2cccnc2)cc1C(=O)NCCC(F)(F)F.
What is the InChIKey of 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The InChIKey is YCMIVXAVXBOKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-9-11(12(21)18-6-4-13(14,15)16)8-20(19-9)10-3-2-5-17-7-10/h2-3,5,7-8H,4,6H2,1H3,(H,18,21).
What are the key properties of 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58270515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).