2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol

C11H12N2O — CID 2315725

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
SMILESCc1n[nH]c(C)c1-c1ccccc1O
InChIInChI=1S/C11H12N2O/c1-7-11(8(2)13-12-7)9-5-3-4-6-10(9)14/h3-6,14H,1-2H3,(H,12,13)
InChIKeyDVDUHUNOCIILFA-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.40
Rot. Bonds1

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol

2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol (PubChem CID 2315725) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
PubChem CID2315725
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
SMILESCc1n[nH]c(C)c1-c1ccccc1O
InChIInChI=1S/C11H12N2O/c1-7-11(8(2)13-12-7)9-5-3-4-6-10(9)14/h3-6,14H,1-2H3,(H,12,13)
InChIKeyDVDUHUNOCIILFA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol (CID 2315725) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol is Cc1n[nH]c(C)c1-c1ccccc1O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol?
The InChIKey is DVDUHUNOCIILFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-11(8(2)13-12-7)9-5-3-4-6-10(9)14/h3-6,14H,1-2H3,(H,12,13).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol?
2-(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 2-(3,5-dimethyl-1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 2315725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).