4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid

C17H19N3O2 — CID 157037881

IUPAC4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
SMILESCn1cc2c(n1)c1cc(C(=O)O)ccc1n2C1CCCCC1
InChIInChI=1S/C17H19N3O2/c1-19-10-15-16(18-19)13-9-11(17(21)22)7-8-14(13)20(15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,22)
InChIKeyUITIAROTMWKASG-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.73
Rot. Bonds2

About 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid

4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid (PubChem CID 157037881) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
PubChem CID157037881
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
SMILESCn1cc2c(n1)c1cc(C(=O)O)ccc1n2C1CCCCC1
InChIInChI=1S/C17H19N3O2/c1-19-10-15-16(18-19)13-9-11(17(21)22)7-8-14(13)20(15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,22)
InChIKeyUITIAROTMWKASG-UHFFFAOYSA-N
XLogP3.73
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid?
The IUPAC name of 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid (CID 157037881) is 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid is Cn1cc2c(n1)c1cc(C(=O)O)ccc1n2C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid?
The InChIKey is UITIAROTMWKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-10-15-16(18-19)13-9-11(17(21)22)7-8-14(13)20(15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,22).
What are the key properties of 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid?
4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid is sourced from PubChem (CID 157037881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).