5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide

C11H11FN4O — CID 134527719

IUPAC5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2cccnc2)c1F
InChIInChI=1S/C11H11FN4O/c1-2-8-9(12)10(16-15-8)11(17)14-7-4-3-5-13-6-7/h3-6H,2H2,1H3,(H,14,17)(H,15,16)
InChIKeyNSDBPVTVLIUNGZ-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.76
Rot. Bonds3

About 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide

5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide (PubChem CID 134527719) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
PubChem CID134527719
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2cccnc2)c1F
InChIInChI=1S/C11H11FN4O/c1-2-8-9(12)10(16-15-8)11(17)14-7-4-3-5-13-6-7/h3-6H,2H2,1H3,(H,14,17)(H,15,16)
InChIKeyNSDBPVTVLIUNGZ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide (CID 134527719) is 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2cccnc2)c1F.
What is the InChIKey of 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
The InChIKey is NSDBPVTVLIUNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-2-8-9(12)10(16-15-8)11(17)14-7-4-3-5-13-6-7/h3-6H,2H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide?
5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 134527719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).