(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol

C12H13FN2O — CID 61088209

IUPAC(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCc1ccc(C(O)c2cnn(C)c2)cc1F
InChIInChI=1S/C12H13FN2O/c1-8-3-4-9(5-11(8)13)12(16)10-6-14-15(2)7-10/h3-7,12,16H,1-2H3
InChIKeyRASGNUHIMJNCIM-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.95
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol

(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 61088209) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID61088209
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCc1ccc(C(O)c2cnn(C)c2)cc1F
InChIInChI=1S/C12H13FN2O/c1-8-3-4-9(5-11(8)13)12(16)10-6-14-15(2)7-10/h3-7,12,16H,1-2H3
InChIKeyRASGNUHIMJNCIM-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol (CID 61088209) is (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol is Cc1ccc(C(O)c2cnn(C)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is RASGNUHIMJNCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-3-4-9(5-11(8)13)12(16)10-6-14-15(2)7-10/h3-7,12,16H,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol?
(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 220.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).