[2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol

C13H15FN2O2 — CID 114065362

IUPAC[2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol
SMILESCc1nn(C)c(C)c1Oc1cccc(F)c1CO
InChIInChI=1S/C13H15FN2O2/c1-8-13(9(2)16(3)15-8)18-12-6-4-5-11(14)10(12)7-17/h4-6,17H,7H2,1-3H3
InChIKeyNHUWWTNSFWGJRN-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.46
Rot. Bonds3

About [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol

[2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol (PubChem CID 114065362) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol
PubChem CID114065362
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name[2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol
SMILESCc1nn(C)c(C)c1Oc1cccc(F)c1CO
InChIInChI=1S/C13H15FN2O2/c1-8-13(9(2)16(3)15-8)18-12-6-4-5-11(14)10(12)7-17/h4-6,17H,7H2,1-3H3
InChIKeyNHUWWTNSFWGJRN-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 112740566
[4-(1,3,5-trimethylpyrazol-4-yl)oxy-3-pyridinyl]methanol
CID 81237974
[2-fluoro-6-(3-methylphenoxy)phenyl]methanol
CID 114065347
1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine
CID 112678493
[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 63269563
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71985913
N-ethyl-2-nitro-3-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80870608
[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 102989934
[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43479792
1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63036962
N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664744

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol?
The IUPAC name of [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol (CID 114065362) is [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol?
The canonical SMILES for [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol is Cc1nn(C)c(C)c1Oc1cccc(F)c1CO.
What is the InChIKey of [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol?
The InChIKey is NHUWWTNSFWGJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-13(9(2)16(3)15-8)18-12-6-4-5-11(14)10(12)7-17/h4-6,17H,7H2,1-3H3.
What are the key properties of [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol?
[2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol has a molecular weight of 250.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 114065362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).