[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol

C13H15FN2O2 — CID 107690650

IUPAC[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
SMILESCc1cc(COc2ccc(CO)cc2F)n(C)n1
InChIInChI=1S/C13H15FN2O2/c1-9-5-11(16(2)15-9)8-18-13-4-3-10(7-17)6-12(13)14/h3-6,17H,7-8H2,1-2H3
InChIKeyDCTBMJPYALENHK-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.94
Rot. Bonds4

About [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol

[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol (PubChem CID 107690650) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
PubChem CID107690650
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
SMILESCc1cc(COc2ccc(CO)cc2F)n(C)n1
InChIInChI=1S/C13H15FN2O2/c1-9-5-11(16(2)15-9)8-18-13-4-3-10(7-17)6-12(13)14/h3-6,17H,7-8H2,1-2H3
InChIKeyDCTBMJPYALENHK-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 107665501
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79887881
[3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107690642
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-fluorophenyl]-trifluoroboranuide
CID 114675060
2-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79887516
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953
[3-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690934
5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
CID 122171360
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79163176
4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
CID 58858055
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 79158515

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol?
The IUPAC name of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol (CID 107690650) is [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol is Cc1cc(COc2ccc(CO)cc2F)n(C)n1.
What is the InChIKey of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol?
The InChIKey is DCTBMJPYALENHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9-5-11(16(2)15-9)8-18-13-4-3-10(7-17)6-12(13)14/h3-6,17H,7-8H2,1-2H3.
What are the key properties of [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol?
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol has a molecular weight of 250.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol is sourced from PubChem (CID 107690650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).