[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H16FN3O3 — CID 75395512

IUPAC[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CC(O)CC1CO
InChIInChI=1S/C15H16FN3O3/c16-10-2-1-3-11(6-10)19-5-4-14(17-19)15(22)18-8-13(21)7-12(18)9-20/h1-6,12-13,20-21H,7-9H2
InChIKeyYTMYLIMPJBIVMX-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.58
Rot. Bonds3

About [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 75395512) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID75395512
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CC(O)CC1CO
InChIInChI=1S/C15H16FN3O3/c16-10-2-1-3-11(6-10)19-5-4-14(17-19)15(22)18-8-13(21)7-12(18)9-20/h1-6,12-13,20-21H,7-9H2
InChIKeyYTMYLIMPJBIVMX-UHFFFAOYSA-N
XLogP0.58
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 75395512) is [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1ccn(-c2cccc(F)c2)n1)N1CC(O)CC1CO.
What is the InChIKey of [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YTMYLIMPJBIVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-10-2-1-3-11(6-10)19-5-4-14(17-19)15(22)18-8-13(21)7-12(18)9-20/h1-6,12-13,20-21H,7-9H2.
What are the key properties of [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 305.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 75395512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).