3-(1,3-dimethylpyrazol-4-yl)phenol

C11H12N2O — CID 130752122

IUPAC3-(1,3-dimethylpyrazol-4-yl)phenol
SMILESCc1nn(C)cc1-c1cccc(O)c1
InChIInChI=1S/C11H12N2O/c1-8-11(7-13(2)12-8)9-4-3-5-10(14)6-9/h3-7,14H,1-2H3
InChIKeyMVJLVQQCFLDJLX-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.10
Rot. Bonds1

About 3-(1,3-dimethylpyrazol-4-yl)phenol

3-(1,3-dimethylpyrazol-4-yl)phenol (PubChem CID 130752122) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)phenol
PubChem CID130752122
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)phenol
SMILESCc1nn(C)cc1-c1cccc(O)c1
InChIInChI=1S/C11H12N2O/c1-8-11(7-13(2)12-8)9-4-3-5-10(14)6-9/h3-7,14H,1-2H3
InChIKeyMVJLVQQCFLDJLX-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)phenol?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)phenol (CID 130752122) is 3-(1,3-dimethylpyrazol-4-yl)phenol.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)phenol?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)phenol is Cc1nn(C)cc1-c1cccc(O)c1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)phenol?
The InChIKey is MVJLVQQCFLDJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-11(7-13(2)12-8)9-4-3-5-10(14)6-9/h3-7,14H,1-2H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)phenol?
3-(1,3-dimethylpyrazol-4-yl)phenol has a molecular weight of 188.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)phenol is sourced from PubChem (CID 130752122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).