1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide

C15H23N5O2S — CID 71808377

IUPAC1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1nn(C)c2c1CCCC2
InChIInChI=1S/C15H23N5O2S/c1-10-15(11(2)19(3)17-10)23(21,22)16-9-13-12-7-5-6-8-14(12)20(4)18-13/h16H,5-9H2,1-4H3
InChIKeyCTAYWQMWAHLBLD-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.13
Rot. Bonds4

About 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 71808377) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID71808377
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1nn(C)c2c1CCCC2
InChIInChI=1S/C15H23N5O2S/c1-10-15(11(2)19(3)17-10)23(21,22)16-9-13-12-7-5-6-8-14(12)20(4)18-13/h16H,5-9H2,1-4H3
InChIKeyCTAYWQMWAHLBLD-UHFFFAOYSA-N
XLogP1.13
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide (CID 71808377) is 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1nn(C)c2c1CCCC2.
What is the InChIKey of 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is CTAYWQMWAHLBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-10-15(11(2)19(3)17-10)23(21,22)16-9-13-12-7-5-6-8-14(12)20(4)18-13/h16H,5-9H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71808377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).