(4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol

C11H11FN2O — CID 45096995

IUPAC(4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C11H11FN2O/c1-14-7-9(6-13-14)11(15)8-2-4-10(12)5-3-8/h2-7,11,15H,1H3
InChIKeyNKEPNQSSBKPALG-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.64
Rot. Bonds2

About (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol

(4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 45096995) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID45096995
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name(4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C11H11FN2O/c1-14-7-9(6-13-14)11(15)8-2-4-10(12)5-3-8/h2-7,11,15H,1H3
InChIKeyNKEPNQSSBKPALG-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol (CID 45096995) is (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ccc(F)cc2)cn1.
What is the InChIKey of (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is NKEPNQSSBKPALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-7-9(6-13-14)11(15)8-2-4-10(12)5-3-8/h2-7,11,15H,1H3.
What are the key properties of (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol?
(4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 206.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 45096995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).