4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol

C12H14N2O — CID 118728006

IUPAC4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol
SMILESCc1cc(CCc2ccc(O)cc2)n[nH]1
InChIInChI=1S/C12H14N2O/c1-9-8-11(14-13-9)5-2-10-3-6-12(15)7-4-10/h3-4,6-8,15H,2,5H2,1H3,(H,13,14)
InChIKeyAQDYDJCRHFGRGV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.21
Rot. Bonds3

About 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol

4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol (PubChem CID 118728006) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol
PubChem CID118728006
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol
SMILESCc1cc(CCc2ccc(O)cc2)n[nH]1
InChIInChI=1S/C12H14N2O/c1-9-8-11(14-13-9)5-2-10-3-6-12(15)7-4-10/h3-4,6-8,15H,2,5H2,1H3,(H,13,14)
InChIKeyAQDYDJCRHFGRGV-UHFFFAOYSA-N
XLogP2.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol?
The IUPAC name of 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol (CID 118728006) is 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol is Cc1cc(CCc2ccc(O)cc2)n[nH]1.
What is the InChIKey of 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol?
The InChIKey is AQDYDJCRHFGRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-8-11(14-13-9)5-2-10-3-6-12(15)7-4-10/h3-4,6-8,15H,2,5H2,1H3,(H,13,14).
What are the key properties of 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol?
4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol has a molecular weight of 202.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol is sourced from PubChem (CID 118728006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).