3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C12H12F2N4O — CID 154582530

IUPAC3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccn2)c(C(F)F)n1
InChIInChI=1S/C12H12F2N4O/c1-18-7-9(10(17-18)11(13)14)12(19)16-6-8-4-2-3-5-15-8/h2-5,7,11H,6H2,1H3,(H,16,19)
InChIKeyABMBNXUVBKDJAB-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.68
Rot. Bonds4

About 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 154582530) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID154582530
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccn2)c(C(F)F)n1
InChIInChI=1S/C12H12F2N4O/c1-18-7-9(10(17-18)11(13)14)12(19)16-6-8-4-2-3-5-15-8/h2-5,7,11H,6H2,1H3,(H,16,19)
InChIKeyABMBNXUVBKDJAB-UHFFFAOYSA-N
XLogP1.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
2-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 4781382
[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino] benzoate
CID 174990293
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 92637469
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 154582530) is 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccn2)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ABMBNXUVBKDJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-18-7-9(10(17-18)11(13)14)12(19)16-6-8-4-2-3-5-15-8/h2-5,7,11H,6H2,1H3,(H,16,19).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154582530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).