2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]

C15H15ClN2 — CID 118069405

IUPAC2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]
SMILESClc1cccc(-c2cc3n(n2)C2(CCC3)CC2)c1
InChIInChI=1S/C15H15ClN2/c16-12-4-1-3-11(9-12)14-10-13-5-2-6-15(7-8-15)18(13)17-14/h1,3-4,9-10H,2,5-8H2
InChIKeyLZSFFMHMOLJLAE-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.03
Rot. Bonds1

About 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]

2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane] (PubChem CID 118069405) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane].

Molecular Properties

Compound Name2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]
PubChem CID118069405
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]
SMILESClc1cccc(-c2cc3n(n2)C2(CCC3)CC2)c1
InChIInChI=1S/C15H15ClN2/c16-12-4-1-3-11(9-12)14-10-13-5-2-6-15(7-8-15)18(13)17-14/h1,3-4,9-10H,2,5-8H2
InChIKeyLZSFFMHMOLJLAE-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]?
The IUPAC name of 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane] (CID 118069405) is 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane].
What is the SMILES notation for 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]?
The canonical SMILES for 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane] is Clc1cccc(-c2cc3n(n2)C2(CCC3)CC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]?
The InChIKey is LZSFFMHMOLJLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-12-4-1-3-11(9-12)14-10-13-5-2-6-15(7-8-15)18(13)17-14/h1,3-4,9-10H,2,5-8H2.
What are the key properties of 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]?
2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane] has a molecular weight of 258.75 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane] is sourced from PubChem (CID 118069405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).