N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C22H18N4O3S — CID 56556901

IUPACN-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2cnccc12)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H18N4O3S/c27-22(25-30(28,29)20-11-4-6-15-14-23-13-12-17(15)20)21-18-9-5-10-19(18)26(24-21)16-7-2-1-3-8-16/h1-4,6-8,11-14H,5,9-10H2,(H,25,27)
InChIKeyCWKAVVDNIUOHJQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.03
Rot. Bonds4

About N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 56556901) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID56556901
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2cnccc12)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H18N4O3S/c27-22(25-30(28,29)20-11-4-6-15-14-23-13-12-17(15)20)21-18-9-5-10-19(18)26(24-21)16-7-2-1-3-8-16/h1-4,6-8,11-14H,5,9-10H2,(H,25,27)
InChIKeyCWKAVVDNIUOHJQ-UHFFFAOYSA-N
XLogP3.03
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527620
N-[3-(carbamoylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55824157
N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide
CID 98671337
N-[3-(methylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119430820
N-[2-(methanesulfonamido)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 51122191
N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 126775893
N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 102556813
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197
1-phenyl-N'-pyrimidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 51119740
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 56556901) is N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(NS(=O)(=O)c1cccc2cnccc12)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is CWKAVVDNIUOHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c27-22(25-30(28,29)20-11-4-6-15-14-23-13-12-17(15)20)21-18-9-5-10-19(18)26(24-21)16-7-2-1-3-8-16/h1-4,6-8,11-14H,5,9-10H2,(H,25,27).
What are the key properties of N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 56556901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).