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

C23H25N5O2S — CID 11697799

IUPAC4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(S(N)(=O)=O)cc3)ccc12
InChIInChI=1S/C23H25N5O2S/c1-2-21-20-12-7-16(15-23(20)28(26-21)17-5-3-4-6-17)22-13-14-25-27(22)18-8-10-19(11-9-18)31(24,29)30/h7-15,17H,2-6H2,1H3,(H2,24,29,30)
InChIKeyGRCHNOAKKJQUFB-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.21
Rot. Bonds5

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

4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 11697799) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID11697799
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(S(N)(=O)=O)cc3)ccc12
InChIInChI=1S/C23H25N5O2S/c1-2-21-20-12-7-16(15-23(20)28(26-21)17-5-3-4-6-17)22-13-14-25-27(22)18-8-10-19(11-9-18)31(24,29)30/h7-15,17H,2-6H2,1H3,(H2,24,29,30)
InChIKeyGRCHNOAKKJQUFB-UHFFFAOYSA-N
XLogP4.21
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide (CID 11697799) is 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide is CCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(S(N)(=O)=O)cc3)ccc12.
What is the InChIKey of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is GRCHNOAKKJQUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-2-21-20-12-7-16(15-23(20)28(26-21)17-5-3-4-6-17)22-13-14-25-27(22)18-8-10-19(11-9-18)31(24,29)30/h7-15,17H,2-6H2,1H3,(H2,24,29,30).
What are the key properties of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 11697799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).