(2,5-dimethylpyrazol-3-yl)-phenylmethanol

C12H14N2O — CID 105076375

IUPAC(2,5-dimethylpyrazol-3-yl)-phenylmethanol
SMILESCc1cc(C(O)c2ccccc2)n(C)n1
InChIInChI=1S/C12H14N2O/c1-9-8-11(14(2)13-9)12(15)10-6-4-3-5-7-10/h3-8,12,15H,1-2H3
InChIKeyCQKNUXWRBIWFDP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.81
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-phenylmethanol

(2,5-dimethylpyrazol-3-yl)-phenylmethanol (PubChem CID 105076375) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-phenylmethanol
PubChem CID105076375
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2,5-dimethylpyrazol-3-yl)-phenylmethanol
SMILESCc1cc(C(O)c2ccccc2)n(C)n1
InChIInChI=1S/C12H14N2O/c1-9-8-11(14(2)13-9)12(15)10-6-4-3-5-7-10/h3-8,12,15H,1-2H3
InChIKeyCQKNUXWRBIWFDP-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-phenylmethanol?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-phenylmethanol (CID 105076375) is (2,5-dimethylpyrazol-3-yl)-phenylmethanol.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-phenylmethanol?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-phenylmethanol is Cc1cc(C(O)c2ccccc2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-phenylmethanol?
The InChIKey is CQKNUXWRBIWFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-8-11(14(2)13-9)12(15)10-6-4-3-5-7-10/h3-8,12,15H,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-phenylmethanol?
(2,5-dimethylpyrazol-3-yl)-phenylmethanol has a molecular weight of 202.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-phenylmethanol is sourced from PubChem (CID 105076375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).