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

C16H14FN3O — CID 69312590

IUPAC[5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol
SMILESOCc1c(-c2ccncc2)n[nH]c1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-13-3-1-11(2-4-13)9-15-14(10-21)16(20-19-15)12-5-7-18-8-6-12/h1-8,21H,9-10H2,(H,19,20)
InChIKeyJCNPBVKBIXMOQR-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.69
Rot. Bonds4

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

[5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol (PubChem CID 69312590) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol
PubChem CID69312590
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name[5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol
SMILESOCc1c(-c2ccncc2)n[nH]c1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-13-3-1-11(2-4-13)9-15-14(10-21)16(20-19-15)12-5-7-18-8-6-12/h1-8,21H,9-10H2,(H,19,20)
InChIKeyJCNPBVKBIXMOQR-UHFFFAOYSA-N
XLogP2.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
{4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridin-2-Yl}methanol
CID 71710905
4-[4-(4-Fluorophenyl)-1h-Pyrazol-3-Yl]pyridine
CID 15428657
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373
3-methyl-5-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine
CID 137642787
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175
(3-(pyridin-4-yl)-1H-pyrazol-5-yl)methanol
CID 29922283
(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol
CID 2876247
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol
CID 46984628
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol
CID 46996630
3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine
CID 53392947

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol (CID 69312590) is [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol is OCc1c(-c2ccncc2)n[nH]c1Cc1ccc(F)cc1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol?
The InChIKey is JCNPBVKBIXMOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-3-1-11(2-4-13)9-15-14(10-21)16(20-19-15)12-5-7-18-8-6-12/h1-8,21H,9-10H2,(H,19,20).
What are the key properties of [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol?
[5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol has a molecular weight of 283.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 69312590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).