1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol

C8H14N2O2 — CID 155533595

IUPAC1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol
SMILESCC(C)c1cc(C(O)CO)[nH]n1
InChIInChI=1S/C8H14N2O2/c1-5(2)6-3-7(10-9-6)8(12)4-11/h3,5,8,11-12H,4H2,1-2H3,(H,9,10)
InChIKeyVPAAPLJDFMDAPU-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.56
Rot. Bonds3

About 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol

1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol (PubChem CID 155533595) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol
PubChem CID155533595
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol
SMILESCC(C)c1cc(C(O)CO)[nH]n1
InChIInChI=1S/C8H14N2O2/c1-5(2)6-3-7(10-9-6)8(12)4-11/h3,5,8,11-12H,4H2,1-2H3,(H,9,10)
InChIKeyVPAAPLJDFMDAPU-UHFFFAOYSA-N
XLogP0.56
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol (CID 155533595) is 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol is CC(C)c1cc(C(O)CO)[nH]n1.
What is the InChIKey of 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol?
The InChIKey is VPAAPLJDFMDAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)6-3-7(10-9-6)8(12)4-11/h3,5,8,11-12H,4H2,1-2H3,(H,9,10).
What are the key properties of 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol?
1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol has a molecular weight of 170.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 155533595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).