1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide

C15H16N4O3S — CID 71967386

IUPAC1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2cn(C)c3ccccc23)cnn1C
InChIInChI=1S/C15H16N4O3S/c1-10-12(8-16-19(10)3)15(20)17-23(21,22)14-9-18(2)13-7-5-4-6-11(13)14/h4-9H,1-3H3,(H,17,20)
InChIKeyRMYJSOIDMMRBFI-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.34
Rot. Bonds3

About 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide

1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide (PubChem CID 71967386) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide
PubChem CID71967386
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2cn(C)c3ccccc23)cnn1C
InChIInChI=1S/C15H16N4O3S/c1-10-12(8-16-19(10)3)15(20)17-23(21,22)14-9-18(2)13-7-5-4-6-11(13)14/h4-9H,1-3H3,(H,17,20)
InChIKeyRMYJSOIDMMRBFI-UHFFFAOYSA-N
XLogP1.34
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide (CID 71967386) is 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide is Cc1c(C(=O)NS(=O)(=O)c2cn(C)c3ccccc23)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide?
The InChIKey is RMYJSOIDMMRBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-10-12(8-16-19(10)3)15(20)17-23(21,22)14-9-18(2)13-7-5-4-6-11(13)14/h4-9H,1-3H3,(H,17,20).
What are the key properties of 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide?
1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 71967386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).