4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide

C25H27N5O3S — CID 11627071

IUPAC4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide
SMILESCCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(C(=O)NS(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C25H27N5O3S/c1-3-22-21-13-10-18(16-24(21)30(27-22)19-6-4-5-7-19)23-14-15-26-29(23)20-11-8-17(9-12-20)25(31)28-34(2,32)33/h8-16,19H,3-7H2,1-2H3,(H,28,31)
InChIKeySTCZVWLEZNTZJB-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.26
Rot. Bonds6

About 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide

4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide (PubChem CID 11627071) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide
PubChem CID11627071
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide
SMILESCCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(C(=O)NS(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C25H27N5O3S/c1-3-22-21-13-10-18(16-24(21)30(27-22)19-6-4-5-7-19)23-14-15-26-29(23)20-11-8-17(9-12-20)25(31)28-34(2,32)33/h8-16,19H,3-7H2,1-2H3,(H,28,31)
InChIKeySTCZVWLEZNTZJB-UHFFFAOYSA-N
XLogP4.26
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
CID 118959844
N-methyl-3-[(1-methylindazol-6-yl)methyl]-2H-indazole-5-carboxamide
CID 118960206
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)methanesulfonamide
CID 147837559
1-benzyl-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide
CID 5455199
1-benzyl-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,3-dimethylindole-5-carboxamide
CID 5455223
3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide
CID 53322314
3-[6-methyl-4-[[(2S)-2-(propylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide
CID 53322904
3-[4-[[(2S)-2-(methanesulfonamido)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide
CID 53324954
3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide
CID 53326245
(2S)-1-[3-[4-[[(2S)-2-(cyclopropylsulfonylamino)propyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
CID 53326247
1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
CID 155536189
US11104690, Example 165
CID 134522633

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide (CID 11627071) is 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide is CCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(C(=O)NS(C)(=O)=O)cc3)ccc12.
What is the InChIKey of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The InChIKey is STCZVWLEZNTZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-3-22-21-13-10-18(16-24(21)30(27-22)19-6-4-5-7-19)23-14-15-26-29(23)20-11-8-17(9-12-20)25(31)28-34(2,32)33/h8-16,19H,3-7H2,1-2H3,(H,28,31).
What are the key properties of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide?
4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide has a molecular weight of 477.59 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 11627071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).