3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol

C12H14N2O — CID 118099844

IUPAC3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol
SMILESCC(C)c1cc(-c2cccc(O)c2)n[nH]1
InChIInChI=1S/C12H14N2O/c1-8(2)11-7-12(14-13-11)9-4-3-5-10(15)6-9/h3-8,15H,1-2H3,(H,13,14)
InChIKeyKAEBRDUSJORQRH-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.91
Rot. Bonds2

About 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol

3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol (PubChem CID 118099844) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol
PubChem CID118099844
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol
SMILESCC(C)c1cc(-c2cccc(O)c2)n[nH]1
InChIInChI=1S/C12H14N2O/c1-8(2)11-7-12(14-13-11)9-4-3-5-10(15)6-9/h3-8,15H,1-2H3,(H,13,14)
InChIKeyKAEBRDUSJORQRH-UHFFFAOYSA-N
XLogP2.91
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol?
The IUPAC name of 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol (CID 118099844) is 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol is CC(C)c1cc(-c2cccc(O)c2)n[nH]1.
What is the InChIKey of 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol?
The InChIKey is KAEBRDUSJORQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)11-7-12(14-13-11)9-4-3-5-10(15)6-9/h3-8,15H,1-2H3,(H,13,14).
What are the key properties of 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol?
3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol has a molecular weight of 202.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 118099844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).