[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol

C13H15FN2O2 — CID 103003622

IUPAC[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
SMILESCn1cc(CCOc2cc(F)cc(CO)c2)cn1
InChIInChI=1S/C13H15FN2O2/c1-16-8-10(7-15-16)2-3-18-13-5-11(9-17)4-12(14)6-13/h4-8,17H,2-3,9H2,1H3
InChIKeyTYILRXNOSUAREQ-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.67
Rot. Bonds5

About [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol

[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol (PubChem CID 103003622) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
PubChem CID103003622
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
SMILESCn1cc(CCOc2cc(F)cc(CO)c2)cn1
InChIInChI=1S/C13H15FN2O2/c1-16-8-10(7-15-16)2-3-18-13-5-11(9-17)4-12(14)6-13/h4-8,17H,2-3,9H2,1H3
InChIKeyTYILRXNOSUAREQ-UHFFFAOYSA-N
XLogP1.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-5-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 106530236
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103844540
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528
trifluoro-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]boranuide
CID 103003926
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003530
5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine
CID 167971668
[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003499
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
CID 107671163

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol (CID 103003622) is [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol is Cn1cc(CCOc2cc(F)cc(CO)c2)cn1.
What is the InChIKey of [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The InChIKey is TYILRXNOSUAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-16-8-10(7-15-16)2-3-18-13-5-11(9-17)4-12(14)6-13/h4-8,17H,2-3,9H2,1H3.
What are the key properties of [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol has a molecular weight of 250.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 103003622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).