3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol

C6H12N2O — CID 163683395

IUPAC3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCC(C)C1=NNC(O)C1
InChIInChI=1S/C6H12N2O/c1-4(2)5-3-6(9)8-7-5/h4,6,8-9H,3H2,1-2H3
InChIKeyJMTAQWYOAKUJMS-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.31
Rot. Bonds1

About 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol

3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol (PubChem CID 163683395) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol.

Molecular Properties

Compound Name3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol
PubChem CID163683395
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCC(C)C1=NNC(O)C1
InChIInChI=1S/C6H12N2O/c1-4(2)5-3-6(9)8-7-5/h4,6,8-9H,3H2,1-2H3
InChIKeyJMTAQWYOAKUJMS-UHFFFAOYSA-N
XLogP0.31
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-Methyl-1,4,5,6-tetrahydropyridazin-6-ol
CID 68394048
3-propyl-4,5-dihydro-1H-pyrazol-5-ol
CID 135138749
3,4-dimethyl-4,5-dihydro-1H-pyrazol-5-ol
CID 142141286
5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole
CID 146392709
3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 154445006
4-butyl-4,5-dihydro-1H-pyrazol-5-ol
CID 175208956

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol?
The IUPAC name of 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol (CID 163683395) is 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol.
What is the SMILES notation for 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol?
The canonical SMILES for 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol is CC(C)C1=NNC(O)C1.
What is the InChIKey of 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol?
The InChIKey is JMTAQWYOAKUJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)5-3-6(9)8-7-5/h4,6,8-9H,3H2,1-2H3.
What are the key properties of 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol?
3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol has a molecular weight of 128.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol is sourced from PubChem (CID 163683395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).