(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol

C11H11FN2O2 — CID 114988826

IUPAC(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol
SMILESCOc1ccc(F)cc1C(O)c1ccn[nH]1
InChIInChI=1S/C11H11FN2O2/c1-16-10-3-2-7(12)6-8(10)11(15)9-4-5-13-14-9/h2-6,11,15H,1H3,(H,13,14)
InChIKeyKELXNGACKRQGFZ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.64
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol

(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol (PubChem CID 114988826) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol
PubChem CID114988826
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol
SMILESCOc1ccc(F)cc1C(O)c1ccn[nH]1
InChIInChI=1S/C11H11FN2O2/c1-16-10-3-2-7(12)6-8(10)11(15)9-4-5-13-14-9/h2-6,11,15H,1H3,(H,13,14)
InChIKeyKELXNGACKRQGFZ-UHFFFAOYSA-N
XLogP1.64
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine
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(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
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(5-fluoro-2-methoxyphenyl)-(5-methyl-2-pyridinyl)methanol
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(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
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2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
4-fluoro-1-methoxy-2-propan-2-ylbenzene
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CID 61087633

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol (CID 114988826) is (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol is COc1ccc(F)cc1C(O)c1ccn[nH]1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol?
The InChIKey is KELXNGACKRQGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-16-10-3-2-7(12)6-8(10)11(15)9-4-5-13-14-9/h2-6,11,15H,1H3,(H,13,14).
What are the key properties of (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol?
(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol has a molecular weight of 222.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 114988826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).