1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one

C14H14FN3O2 — CID 168663927

IUPAC1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C14H14FN3O2/c15-11-3-1-10(2-4-11)12-6-13(17-16-12)18-7-9(8-19)5-14(18)20/h1-4,6,9,19H,5,7-8H2,(H,16,17)
InChIKeyDRXBJRFWOWLXBU-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.56
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663927) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663927
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C14H14FN3O2/c15-11-3-1-10(2-4-11)12-6-13(17-16-12)18-7-9(8-19)5-14(18)20/h1-4,6,9,19H,5,7-8H2,(H,16,17)
InChIKeyDRXBJRFWOWLXBU-UHFFFAOYSA-N
XLogP1.56
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168662640
4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168509279
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698208
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 141116621
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
1-(6-amino-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664121
1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365391
2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741612

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663927) is 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1cc(-c2ccc(F)cc2)[nH]n1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is DRXBJRFWOWLXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-3-1-10(2-4-11)12-6-13(17-16-12)18-7-9(8-19)5-14(18)20/h1-4,6,9,19H,5,7-8H2,(H,16,17).
What are the key properties of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 275.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).