1H-pyrazole;hydrate

C3H6N2O — CID 69154856

IUPAC1H-pyrazole;hydrate
SMILESO.c1cn[nH]c1
InChIInChI=1S/C3H4N2.H2O/c1-2-4-5-3-1;/h1-3H,(H,4,5);1H2
InChIKeyGBNOSMRRYYJCFQ-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.41
Rot. Bonds

About 1H-pyrazole;hydrate

1H-pyrazole;hydrate (PubChem CID 69154856) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is 1H-pyrazole;hydrate.

Molecular Properties

Compound Name1H-pyrazole;hydrate
PubChem CID69154856
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC Name1H-pyrazole;hydrate
SMILESO.c1cn[nH]c1
InChIInChI=1S/C3H4N2.H2O/c1-2-4-5-3-1;/h1-3H,(H,4,5);1H2
InChIKeyGBNOSMRRYYJCFQ-UHFFFAOYSA-N
XLogP-0.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1H-pyrazole;hydrate 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 1H-pyrazole;hydrate?
The IUPAC name of 1H-pyrazole;hydrate (CID 69154856) is 1H-pyrazole;hydrate.
What is the SMILES notation for 1H-pyrazole;hydrate?
The canonical SMILES for 1H-pyrazole;hydrate is O.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;hydrate?
The InChIKey is GBNOSMRRYYJCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.H2O/c1-2-4-5-3-1;/h1-3H,(H,4,5);1H2.
What are the key properties of 1H-pyrazole;hydrate?
1H-pyrazole;hydrate has a molecular weight of 86.09 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;hydrate is sourced from PubChem (CID 69154856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).