3,4-dihydropyrazol-2-amine

C3H7N3 — CID 20511326

IUPAC3,4-dihydropyrazol-2-amine
SMILESNN1CCC=N1
InChIInChI=1S/C3H7N3/c4-6-3-1-2-5-6/h2H,1,3-4H2
InChIKeyNUTWJPPMTMHFGI-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.45
Rot. Bonds

About 3,4-dihydropyrazol-2-amine

3,4-dihydropyrazol-2-amine (PubChem CID 20511326) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is 3,4-dihydropyrazol-2-amine.

Molecular Properties

Compound Name3,4-dihydropyrazol-2-amine
PubChem CID20511326
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name3,4-dihydropyrazol-2-amine
SMILESNN1CCC=N1
InChIInChI=1S/C3H7N3/c4-6-3-1-2-5-6/h2H,1,3-4H2
InChIKeyNUTWJPPMTMHFGI-UHFFFAOYSA-N
XLogP-0.45
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyrazol-2-amine?
The IUPAC name of 3,4-dihydropyrazol-2-amine (CID 20511326) is 3,4-dihydropyrazol-2-amine.
What is the SMILES notation for 3,4-dihydropyrazol-2-amine?
The canonical SMILES for 3,4-dihydropyrazol-2-amine is NN1CCC=N1.
What is the InChIKey of 3,4-dihydropyrazol-2-amine?
The InChIKey is NUTWJPPMTMHFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3/c4-6-3-1-2-5-6/h2H,1,3-4H2.
What are the key properties of 3,4-dihydropyrazol-2-amine?
3,4-dihydropyrazol-2-amine has a molecular weight of 85.11 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyrazol-2-amine is sourced from PubChem (CID 20511326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).