4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide

C17H16FN3O3 — CID 71933977

IUPAC4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide
SMILESCc1occc1-c1cc(NC(=O)c2ccc(F)cc2)n(CCO)n1
InChIInChI=1S/C17H16FN3O3/c1-11-14(6-9-24-11)15-10-16(21(20-15)7-8-22)19-17(23)12-2-4-13(18)5-3-12/h2-6,9-10,22H,7-8H2,1H3,(H,19,23)
InChIKeyLZCZBTZODNRUHK-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.84
Rot. Bonds5

About 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide

4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide (PubChem CID 71933977) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide
PubChem CID71933977
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide
SMILESCc1occc1-c1cc(NC(=O)c2ccc(F)cc2)n(CCO)n1
InChIInChI=1S/C17H16FN3O3/c1-11-14(6-9-24-11)15-10-16(21(20-15)7-8-22)19-17(23)12-2-4-13(18)5-3-12/h2-6,9-10,22H,7-8H2,1H3,(H,19,23)
InChIKeyLZCZBTZODNRUHK-UHFFFAOYSA-N
XLogP2.84
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide (CID 71933977) is 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide is Cc1occc1-c1cc(NC(=O)c2ccc(F)cc2)n(CCO)n1.
What is the InChIKey of 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide?
The InChIKey is LZCZBTZODNRUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-11-14(6-9-24-11)15-10-16(21(20-15)7-8-22)19-17(23)12-2-4-13(18)5-3-12/h2-6,9-10,22H,7-8H2,1H3,(H,19,23).
What are the key properties of 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide?
4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide has a molecular weight of 329.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 71933977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).