4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide

C17H22N4O3S — CID 110280668

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C17H22N4O3S/c1-11-15(16(18-21(11)4)17(22)20(2)3)19-25(23,24)14-9-8-12-6-5-7-13(12)10-14/h8-10,19H,5-7H2,1-4H3
InChIKeyJATSAZOQWHZSPK-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.72
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide

4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 110280668) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID110280668
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C17H22N4O3S/c1-11-15(16(18-21(11)4)17(22)20(2)3)19-25(23,24)14-9-8-12-6-5-7-13(12)10-14/h8-10,19H,5-7H2,1-4H3
InChIKeyJATSAZOQWHZSPK-UHFFFAOYSA-N
XLogP1.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 110280668) is 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide is Cc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)N(C)C)nn1C.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is JATSAZOQWHZSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-15(16(18-21(11)4)17(22)20(2)3)19-25(23,24)14-9-8-12-6-5-7-13(12)10-14/h8-10,19H,5-7H2,1-4H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide?
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 110280668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).