[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol

C13H15FN2O2 — CID 102989934

IUPAC[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1ccc(F)cc1Oc1c(CO)c(C)nn1C
InChIInChI=1S/C13H15FN2O2/c1-8-4-5-10(14)6-12(8)18-13-11(7-17)9(2)15-16(13)3/h4-6,17H,7H2,1-3H3
InChIKeyVRAQXQAMSYEQAX-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.46
Rot. Bonds3

About [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol

[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 102989934) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID102989934
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1ccc(F)cc1Oc1c(CO)c(C)nn1C
InChIInChI=1S/C13H15FN2O2/c1-8-4-5-10(14)6-12(8)18-13-11(7-17)9(2)15-16(13)3/h4-6,17H,7H2,1-3H3
InChIKeyVRAQXQAMSYEQAX-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

Analyze [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 63269563
[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43351940
[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43479792
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964156
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
[1,3-dimethyl-5-(4-methyl-2-nitrophenoxy)pyrazol-4-yl]methanol
CID 61311454
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
[5-(2-methoxy-4-nitrophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 62111459

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (CID 102989934) is [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is Cc1ccc(F)cc1Oc1c(CO)c(C)nn1C.
What is the InChIKey of [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is VRAQXQAMSYEQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-4-5-10(14)6-12(8)18-13-11(7-17)9(2)15-16(13)3/h4-6,17H,7H2,1-3H3.
What are the key properties of [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]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 [5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 102989934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).