[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone

C14H14FN3O2 — CID 97186075

IUPAC[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nn(-c2ccccc2F)cc1O)N1CCCC1
InChIInChI=1S/C14H14FN3O2/c15-10-5-1-2-6-11(10)18-9-12(19)13(16-18)14(20)17-7-3-4-8-17/h1-2,5-6,9,19H,3-4,7-8H2
InChIKeyPXPPPHSASQFUBO-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.95
Rot. Bonds2

About [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone

[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97186075) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID97186075
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nn(-c2ccccc2F)cc1O)N1CCCC1
InChIInChI=1S/C14H14FN3O2/c15-10-5-1-2-6-11(10)18-9-12(19)13(16-18)14(20)17-7-3-4-8-17/h1-2,5-6,9,19H,3-4,7-8H2
InChIKeyPXPPPHSASQFUBO-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 97186075) is [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1nn(-c2ccccc2F)cc1O)N1CCCC1.
What is the InChIKey of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PXPPPHSASQFUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-10-5-1-2-6-11(10)18-9-12(19)13(16-18)14(20)17-7-3-4-8-17/h1-2,5-6,9,19H,3-4,7-8H2.
What are the key properties of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 275.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97186075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).