2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol

C13H16N2O — CID 15881028

IUPAC2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol
SMILESCc1cc(-c2ccccc2C(C)(C)O)n[nH]1
InChIInChI=1S/C13H16N2O/c1-9-8-12(15-14-9)10-6-4-5-7-11(10)13(2,3)16/h4-8,16H,1-3H3,(H,14,15)
InChIKeyHACMFRGGVYPCRH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.61
Rot. Bonds2

About 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol

2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol (PubChem CID 15881028) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol
PubChem CID15881028
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol
SMILESCc1cc(-c2ccccc2C(C)(C)O)n[nH]1
InChIInChI=1S/C13H16N2O/c1-9-8-12(15-14-9)10-6-4-5-7-11(10)13(2,3)16/h4-8,16H,1-3H3,(H,14,15)
InChIKeyHACMFRGGVYPCRH-UHFFFAOYSA-N
XLogP2.61
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol (CID 15881028) is 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol is Cc1cc(-c2ccccc2C(C)(C)O)n[nH]1.
What is the InChIKey of 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol?
The InChIKey is HACMFRGGVYPCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-8-12(15-14-9)10-6-4-5-7-11(10)13(2,3)16/h4-8,16H,1-3H3,(H,14,15).
What are the key properties of 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol?
2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol is sourced from PubChem (CID 15881028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).