1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide

C18H25N3OS — CID 21360894

IUPAC1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide
SMILESCCc1nn(C2CCCC2)c2cc(C(=O)NCCSC)ccc12
InChIInChI=1S/C18H25N3OS/c1-3-16-15-9-8-13(18(22)19-10-11-23-2)12-17(15)21(20-16)14-6-4-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,19,22)
InChIKeyAIRORULAFCDFBP-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.81
Rot. Bonds6

About 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide

1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide (PubChem CID 21360894) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide
PubChem CID21360894
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide
SMILESCCc1nn(C2CCCC2)c2cc(C(=O)NCCSC)ccc12
InChIInChI=1S/C18H25N3OS/c1-3-16-15-9-8-13(18(22)19-10-11-23-2)12-17(15)21(20-16)14-6-4-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,19,22)
InChIKeyAIRORULAFCDFBP-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide?
The IUPAC name of 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide (CID 21360894) is 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide?
The canonical SMILES for 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide is CCc1nn(C2CCCC2)c2cc(C(=O)NCCSC)ccc12.
What is the InChIKey of 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide?
The InChIKey is AIRORULAFCDFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-3-16-15-9-8-13(18(22)19-10-11-23-2)12-17(15)21(20-16)14-6-4-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide?
1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide has a molecular weight of 331.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide is sourced from PubChem (CID 21360894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).