(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol

C13H16N2O — CID 63962198

IUPAC(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCCc1ccc(C(O)c2ccnn2C)cc1
InChIInChI=1S/C13H16N2O/c1-3-10-4-6-11(7-5-10)13(16)12-8-9-14-15(12)2/h4-9,13,16H,3H2,1-2H3
InChIKeyZMDWLAZESFTKHG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.06
Rot. Bonds3

About (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol

(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 63962198) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID63962198
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCCc1ccc(C(O)c2ccnn2C)cc1
InChIInChI=1S/C13H16N2O/c1-3-10-4-6-11(7-5-10)13(16)12-8-9-14-15(12)2/h4-9,13,16H,3H2,1-2H3
InChIKeyZMDWLAZESFTKHG-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol (CID 63962198) is (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol is CCc1ccc(C(O)c2ccnn2C)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is ZMDWLAZESFTKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10-4-6-11(7-5-10)13(16)12-8-9-14-15(12)2/h4-9,13,16H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol?
(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 216.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 63962198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).