3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide

C12H13FN4O — CID 138034343

IUPAC3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(C)n1cc(NC(=O)c2ncccc2F)cn1
InChIInChI=1S/C12H13FN4O/c1-8(2)17-7-9(6-15-17)16-12(18)11-10(13)4-3-5-14-11/h3-8H,1-2H3,(H,16,18)
InChIKeyVNCMIPMTUPOYTG-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.25
Rot. Bonds3

About 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide

3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 138034343) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID138034343
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(C)n1cc(NC(=O)c2ncccc2F)cn1
InChIInChI=1S/C12H13FN4O/c1-8(2)17-7-9(6-15-17)16-12(18)11-10(13)4-3-5-14-11/h3-8H,1-2H3,(H,16,18)
InChIKeyVNCMIPMTUPOYTG-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide (CID 138034343) is 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide is CC(C)n1cc(NC(=O)c2ncccc2F)cn1.
What is the InChIKey of 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is VNCMIPMTUPOYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8(2)17-7-9(6-15-17)16-12(18)11-10(13)4-3-5-14-11/h3-8H,1-2H3,(H,16,18).
What are the key properties of 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138034343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).