5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide

C11H11FN4O — CID 113339663

IUPAC5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(F)c1)c1cn[nH]c1
InChIInChI=1S/C11H11FN4O/c1-7(9-4-14-15-5-9)16-11(17)8-2-10(12)6-13-3-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyQGRDQZOIIUGJSI-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.43
Rot. Bonds3

About 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide

5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 113339663) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID113339663
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(F)c1)c1cn[nH]c1
InChIInChI=1S/C11H11FN4O/c1-7(9-4-14-15-5-9)16-11(17)8-2-10(12)6-13-3-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyQGRDQZOIIUGJSI-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103856090
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856688
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide (CID 113339663) is 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cncc(F)c1)c1cn[nH]c1.
What is the InChIKey of 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is QGRDQZOIIUGJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-7(9-4-14-15-5-9)16-11(17)8-2-10(12)6-13-3-8/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide?
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113339663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).