4-chloro-2,3-dihydro-1H-pyrazole

C3H5ClN2 — CID 123277945

IUPAC4-chloro-2,3-dihydro-1H-pyrazole
SMILESClC1=CNNC1
InChIInChI=1S/C3H5ClN2/c4-3-1-5-6-2-3/h1,5-6H,2H2
InChIKeyUDXQOFMLCKHKES-UHFFFAOYSA-N
MW104.54 g/mol
LogP0.17
Rot. Bonds

About 4-chloro-2,3-dihydro-1H-pyrazole

4-chloro-2,3-dihydro-1H-pyrazole (PubChem CID 123277945) has the molecular formula C3H5ClN2 and a molecular weight of 104.54 g/mol. Its IUPAC name is 4-chloro-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-2,3-dihydro-1H-pyrazole
PubChem CID123277945
Molecular FormulaC3H5ClN2
Molecular Weight104.54 g/mol
Exact Mass104.01
IUPAC Name4-chloro-2,3-dihydro-1H-pyrazole
SMILESClC1=CNNC1
InChIInChI=1S/C3H5ClN2/c4-3-1-5-6-2-3/h1,5-6H,2H2
InChIKeyUDXQOFMLCKHKES-UHFFFAOYSA-N
XLogP0.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.54
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydro-1H-pyrazole?
The IUPAC name of 4-chloro-2,3-dihydro-1H-pyrazole (CID 123277945) is 4-chloro-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 4-chloro-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 4-chloro-2,3-dihydro-1H-pyrazole is ClC1=CNNC1.
What is the InChIKey of 4-chloro-2,3-dihydro-1H-pyrazole?
The InChIKey is UDXQOFMLCKHKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClN2/c4-3-1-5-6-2-3/h1,5-6H,2H2.
What are the key properties of 4-chloro-2,3-dihydro-1H-pyrazole?
4-chloro-2,3-dihydro-1H-pyrazole has a molecular weight of 104.54 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 123277945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).