2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride

C8H9ClN2O — CID 15135402

IUPAC2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride
SMILESCn1nc2c(c1C(=O)Cl)CCC2
InChIInChI=1S/C8H9ClN2O/c1-11-7(8(9)12)5-3-2-4-6(5)10-11/h2-4H2,1H3
InChIKeySOAOIFJAIPJQBD-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.29
Rot. Bonds1

About 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride

2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride (PubChem CID 15135402) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride
PubChem CID15135402
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride
SMILESCn1nc2c(c1C(=O)Cl)CCC2
InChIInChI=1S/C8H9ClN2O/c1-11-7(8(9)12)5-3-2-4-6(5)10-11/h2-4H2,1H3
InChIKeySOAOIFJAIPJQBD-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride?
The IUPAC name of 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride (CID 15135402) is 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride is Cn1nc2c(c1C(=O)Cl)CCC2.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride?
The InChIKey is SOAOIFJAIPJQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11-7(8(9)12)5-3-2-4-6(5)10-11/h2-4H2,1H3.
What are the key properties of 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride?
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride has a molecular weight of 184.63 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride is sourced from PubChem (CID 15135402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).