6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C19H22ClN3O — CID 10641149

IUPAC6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C19H22ClN3O/c1-2-17-16-10-11-22(15-9-5-6-13(20)12-15)19(24)18(16)23(21-17)14-7-3-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3
InChIKeyCMBMBGWFZPINMW-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.42
Rot. Bonds3

About 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10641149) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10641149
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C19H22ClN3O/c1-2-17-16-10-11-22(15-9-5-6-13(20)12-15)19(24)18(16)23(21-17)14-7-3-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3
InChIKeyCMBMBGWFZPINMW-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10641149) is 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCCC2)c2c1CCN(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is CMBMBGWFZPINMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-2-17-16-10-11-22(15-9-5-6-13(20)12-15)19(24)18(16)23(21-17)14-7-3-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 343.86 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1-cyclopentyl-3-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10641149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).