N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide

C19H22ClN3O3S — CID 4181234

IUPACN-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2
InChIInChI=1S/C19H22ClN3O3S/c20-14-6-3-7-15(10-14)23-19(16-11-27(25,26)12-17(16)22-23)21-18(24)9-8-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2,(H,21,24)
InChIKeyGNOBKJXVRNKAIT-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide

N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide (PubChem CID 4181234) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide
PubChem CID4181234
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2
InChIInChI=1S/C19H22ClN3O3S/c20-14-6-3-7-15(10-14)23-19(16-11-27(25,26)12-17(16)22-23)21-18(24)9-8-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2,(H,21,24)
InChIKeyGNOBKJXVRNKAIT-UHFFFAOYSA-N
XLogP3.86
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide (CID 4181234) is N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2.
What is the InChIKey of N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide?
The InChIKey is GNOBKJXVRNKAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-14-6-3-7-15(10-14)23-19(16-11-27(25,26)12-17(16)22-23)21-18(24)9-8-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,11-12H2,(H,21,24).
What are the key properties of N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide?
N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide has a molecular weight of 407.92 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 4181234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).