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

C7H12N2O — CID 12762342

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol
SMILESCc1n[nH]c(C)c1CCO
InChIInChI=1S/C7H12N2O/c1-5-7(3-4-10)6(2)9-8-5/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeyHXTNUHPVNBFSDN-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.56
Rot. Bonds2

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol (PubChem CID 12762342) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol
PubChem CID12762342
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol
SMILESCc1n[nH]c(C)c1CCO
InChIInChI=1S/C7H12N2O/c1-5-7(3-4-10)6(2)9-8-5/h10H,3-4H2,1-2H3,(H,8,9)
InChIKeyHXTNUHPVNBFSDN-UHFFFAOYSA-N
XLogP0.56
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.56
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)ethanol?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol (CID 12762342) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol is Cc1n[nH]c(C)c1CCO.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol?
The InChIKey is HXTNUHPVNBFSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-7(3-4-10)6(2)9-8-5/h10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol?
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanol has a molecular weight of 140.19 g/mol, XLogP of 0.56, 2 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)ethanol is sourced from PubChem (CID 12762342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).