3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole

C6H7ClN2O — CID 137399513

IUPAC3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESOn1nc(Cl)c2c1CCC2
InChIInChI=1S/C6H7ClN2O/c7-6-4-2-1-3-5(4)9(10)8-6/h10H,1-3H2
InChIKeyBAKMNLXSBYCJFH-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.26
Rot. Bonds

About 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 137399513) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID137399513
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESOn1nc(Cl)c2c1CCC2
InChIInChI=1S/C6H7ClN2O/c7-6-4-2-1-3-5(4)9(10)8-6/h10H,1-3H2
InChIKeyBAKMNLXSBYCJFH-UHFFFAOYSA-N
XLogP1.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 137399513) is 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole is On1nc(Cl)c2c1CCC2.
What is the InChIKey of 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is BAKMNLXSBYCJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-6-4-2-1-3-5(4)9(10)8-6/h10H,1-3H2.
What are the key properties of 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 158.59 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 137399513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).