1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole

C25H28N4O2S — CID 11396720

IUPAC1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole
SMILESCCc1nn(C2CCCC2)c2cc(-c3ccn(Cc4ccc(S(C)(=O)=O)cc4)n3)ccc12
InChIInChI=1S/C25H28N4O2S/c1-3-23-22-13-10-19(16-25(22)29(27-23)20-6-4-5-7-20)24-14-15-28(26-24)17-18-8-11-21(12-9-18)32(2,30)31/h8-16,20H,3-7,17H2,1-2H3
InChIKeyHJTHTZRRLOSPPE-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.03
Rot. Bonds6

About 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole

1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole (PubChem CID 11396720) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole
PubChem CID11396720
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole
SMILESCCc1nn(C2CCCC2)c2cc(-c3ccn(Cc4ccc(S(C)(=O)=O)cc4)n3)ccc12
InChIInChI=1S/C25H28N4O2S/c1-3-23-22-13-10-19(16-25(22)29(27-23)20-6-4-5-7-20)24-14-15-28(26-24)17-18-8-11-21(12-9-18)32(2,30)31/h8-16,20H,3-7,17H2,1-2H3
InChIKeyHJTHTZRRLOSPPE-UHFFFAOYSA-N
XLogP5.03
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole?
The IUPAC name of 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole (CID 11396720) is 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole?
The canonical SMILES for 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole is CCc1nn(C2CCCC2)c2cc(-c3ccn(Cc4ccc(S(C)(=O)=O)cc4)n3)ccc12.
What is the InChIKey of 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole?
The InChIKey is HJTHTZRRLOSPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-3-23-22-13-10-19(16-25(22)29(27-23)20-6-4-5-7-20)24-14-15-28(26-24)17-18-8-11-21(12-9-18)32(2,30)31/h8-16,20H,3-7,17H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole?
1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole has a molecular weight of 448.59 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]indazole is sourced from PubChem (CID 11396720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).