5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole

C9H9ClN2 — CID 3031279

IUPAC5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccccc1C1CC=NN1
InChIInChI=1S/C9H9ClN2/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-4,6,9,12H,5H2
InChIKeyBLMJUCHXPDUVBM-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.36
Rot. Bonds1

About 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole

5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 3031279) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID3031279
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccccc1C1CC=NN1
InChIInChI=1S/C9H9ClN2/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-4,6,9,12H,5H2
InChIKeyBLMJUCHXPDUVBM-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole (CID 3031279) is 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole is Clc1ccccc1C1CC=NN1.
What is the InChIKey of 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is BLMJUCHXPDUVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-4,6,9,12H,5H2.
What are the key properties of 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole?
5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 180.64 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 3031279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).