4,5-dihydro-3H-pyrazole

C3H6N2 — CID 524190

IUPAC4,5-dihydro-3H-pyrazole
SMILESC1CN=NC1
InChIInChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2
InChIKeyDNXIASIHZYFFRO-UHFFFAOYSA-N
MW70.09 g/mol
LogP0.84
Rot. Bonds

About 4,5-dihydro-3H-pyrazole

4,5-dihydro-3H-pyrazole (PubChem CID 524190) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is 4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name4,5-dihydro-3H-pyrazole
PubChem CID524190
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC Name4,5-dihydro-3H-pyrazole
SMILESC1CN=NC1
InChIInChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2
InChIKeyDNXIASIHZYFFRO-UHFFFAOYSA-N
XLogP0.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-pyrazole?
The IUPAC name of 4,5-dihydro-3H-pyrazole (CID 524190) is 4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 4,5-dihydro-3H-pyrazole?
The canonical SMILES for 4,5-dihydro-3H-pyrazole is C1CN=NC1.
What is the InChIKey of 4,5-dihydro-3H-pyrazole?
The InChIKey is DNXIASIHZYFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2.
What are the key properties of 4,5-dihydro-3H-pyrazole?
4,5-dihydro-3H-pyrazole has a molecular weight of 70.09 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 524190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).