3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol

C11H12N2O — CID 164885092

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
SMILESCc1n[nH]c(C)c1-c1cccc(O)c1
InChIInChI=1S/C11H12N2O/c1-7-11(8(2)13-12-7)9-4-3-5-10(14)6-9/h3-6,14H,1-2H3,(H,12,13)
InChIKeyHXMHFIRXCSIMPR-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.40
Rot. Bonds1

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol

3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol (PubChem CID 164885092) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
PubChem CID164885092
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
SMILESCc1n[nH]c(C)c1-c1cccc(O)c1
InChIInChI=1S/C11H12N2O/c1-7-11(8(2)13-12-7)9-4-3-5-10(14)6-9/h3-6,14H,1-2H3,(H,12,13)
InChIKeyHXMHFIRXCSIMPR-UHFFFAOYSA-N
XLogP2.40
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol (CID 164885092) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol is Cc1n[nH]c(C)c1-c1cccc(O)c1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol?
The InChIKey is HXMHFIRXCSIMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-11(8(2)13-12-7)9-4-3-5-10(14)6-9/h3-6,14H,1-2H3,(H,12,13).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol?
3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol has a molecular weight of 188.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 164885092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).