1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide

C16H17FN4O3 — CID 71933248

IUPAC1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1nn(-c2ccccc2F)cc1O
InChIInChI=1S/C16H17FN4O3/c17-11-5-1-2-6-12(11)21-10-13(22)15(19-21)16(24)18-9-14(23)20-7-3-4-8-20/h1-2,5-6,10,22H,3-4,7-9H2,(H,18,24)
InChIKeyYCIRRZAEBSYXAQ-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.07
Rot. Bonds4

About 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide

1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 71933248) has the molecular formula C16H17FN4O3 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID71933248
Molecular FormulaC16H17FN4O3
Molecular Weight332.33 g/mol
Exact Mass332.13
IUPAC Name1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1nn(-c2ccccc2F)cc1O
InChIInChI=1S/C16H17FN4O3/c17-11-5-1-2-6-12(11)21-10-13(22)15(19-21)16(24)18-9-14(23)20-7-3-4-8-20/h1-2,5-6,10,22H,3-4,7-9H2,(H,18,24)
InChIKeyYCIRRZAEBSYXAQ-UHFFFAOYSA-N
XLogP1.07
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide (CID 71933248) is 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide is O=C(NCC(=O)N1CCCC1)c1nn(-c2ccccc2F)cc1O.
What is the InChIKey of 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is YCIRRZAEBSYXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-11-5-1-2-6-12(11)21-10-13(22)15(19-21)16(24)18-9-14(23)20-7-3-4-8-20/h1-2,5-6,10,22H,3-4,7-9H2,(H,18,24).
What are the key properties of 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71933248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).