2,3-dihydro-1H-pyrazole;hydrochloride

C3H7ClN2 — CID 45050098

IUPAC2,3-dihydro-1H-pyrazole;hydrochloride
SMILESC1=CNNC1.Cl
InChIInChI=1S/C3H6N2.ClH/c1-2-4-5-3-1;/h1-2,4-5H,3H2;1H
InChIKeyLUABANCJXKHLBK-UHFFFAOYSA-N
MW106.56 g/mol
LogP0.03
Rot. Bonds

About 2,3-dihydro-1H-pyrazole;hydrochloride

2,3-dihydro-1H-pyrazole;hydrochloride (PubChem CID 45050098) has the molecular formula C3H7ClN2 and a molecular weight of 106.56 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazole;hydrochloride
PubChem CID45050098
Molecular FormulaC3H7ClN2
Molecular Weight106.56 g/mol
Exact Mass106.03
IUPAC Name2,3-dihydro-1H-pyrazole;hydrochloride
SMILESC1=CNNC1.Cl
InChIInChI=1S/C3H6N2.ClH/c1-2-4-5-3-1;/h1-2,4-5H,3H2;1H
InChIKeyLUABANCJXKHLBK-UHFFFAOYSA-N
XLogP0.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.56
LogP ≤ 50.03
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;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-pyrazole;hydrochloride (CID 45050098) is 2,3-dihydro-1H-pyrazole;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-pyrazole;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-pyrazole;hydrochloride is C1=CNNC1.Cl.
What is the InChIKey of 2,3-dihydro-1H-pyrazole;hydrochloride?
The InChIKey is LUABANCJXKHLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.ClH/c1-2-4-5-3-1;/h1-2,4-5H,3H2;1H.
What are the key properties of 2,3-dihydro-1H-pyrazole;hydrochloride?
2,3-dihydro-1H-pyrazole;hydrochloride has a molecular weight of 106.56 g/mol, XLogP of 0.03, 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;hydrochloride is sourced from PubChem (CID 45050098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).