2,3-dihydro-1H-pyrazole

C3H6N2 — CID 4156003

IUPAC2,3-dihydro-1H-pyrazole
SMILESC1=CNNC1
InChIInChI=1S/C3H6N2/c1-2-4-5-3-1/h1-2,4-5H,3H2
InChIKeyKEQTWHPMSVAFDA-UHFFFAOYSA-N
MW70.09 g/mol
LogP-0.39
Rot. Bonds

About 2,3-dihydro-1H-pyrazole

2,3-dihydro-1H-pyrazole (PubChem CID 4156003) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazole
PubChem CID4156003
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC Name2,3-dihydro-1H-pyrazole
SMILESC1=CNNC1
InChIInChI=1S/C3H6N2/c1-2-4-5-3-1/h1-2,4-5H,3H2
InChIKeyKEQTWHPMSVAFDA-UHFFFAOYSA-N
XLogP-0.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrazole?
The IUPAC name of 2,3-dihydro-1H-pyrazole (CID 4156003) is 2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 2,3-dihydro-1H-pyrazole?
The canonical SMILES for 2,3-dihydro-1H-pyrazole is C1=CNNC1.
What is the InChIKey of 2,3-dihydro-1H-pyrazole?
The InChIKey is KEQTWHPMSVAFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2/c1-2-4-5-3-1/h1-2,4-5H,3H2.
What are the key properties of 2,3-dihydro-1H-pyrazole?
2,3-dihydro-1H-pyrazole has a molecular weight of 70.09 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 4156003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).