1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide

C10H9FN4O — CID 64780996

IUPAC1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cccc(F)n2)n1
InChIInChI=1S/C10H9FN4O/c1-12-10(16)7-5-6-15(14-7)9-4-2-3-8(11)13-9/h2-6H,1H3,(H,12,16)
InChIKeyIGIGRZULXIUIFK-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.77
Rot. Bonds2

About 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide

1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide (PubChem CID 64780996) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
PubChem CID64780996
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cccc(F)n2)n1
InChIInChI=1S/C10H9FN4O/c1-12-10(16)7-5-6-15(14-7)9-4-2-3-8(11)13-9/h2-6H,1H3,(H,12,16)
InChIKeyIGIGRZULXIUIFK-UHFFFAOYSA-N
XLogP0.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide (CID 64780996) is 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2cccc(F)n2)n1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is IGIGRZULXIUIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c1-12-10(16)7-5-6-15(14-7)9-4-2-3-8(11)13-9/h2-6H,1H3,(H,12,16).
What are the key properties of 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide?
1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 220.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64780996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).