[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol

C15H12FN3O — CID 22037697

IUPAC[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H12FN3O/c16-12-3-1-11(2-4-12)15-14(13(9-20)18-19-15)10-5-7-17-8-6-10/h1-8,20H,9H2,(H,18,19)
InChIKeyQCGFSMNELOSJQC-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.77
Rot. Bonds3

About [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol

[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol (PubChem CID 22037697) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol
PubChem CID22037697
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H12FN3O/c16-12-3-1-11(2-4-12)15-14(13(9-20)18-19-15)10-5-7-17-8-6-10/h1-8,20H,9H2,(H,18,19)
InChIKeyQCGFSMNELOSJQC-UHFFFAOYSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol (CID 22037697) is [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol is OCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol?
The InChIKey is QCGFSMNELOSJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-3-1-11(2-4-12)15-14(13(9-20)18-19-15)10-5-7-17-8-6-10/h1-8,20H,9H2,(H,18,19).
What are the key properties of [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol?
[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol has a molecular weight of 269.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 22037697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).