1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

C16H16N6O3S — CID 135403019

IUPAC1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H16N6O3S/c1-18-26(24,25)10-4-2-9(3-5-10)22-15-11(14(21-22)16(17)23)6-7-13-12(15)8-19-20-13/h2-5,8,18H,6-7H2,1H3,(H2,17,23)(H,19,20)
InChIKeyMTIKFQKFTRIHCE-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.37
Rot. Bonds4

About 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403019) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403019
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H16N6O3S/c1-18-26(24,25)10-4-2-9(3-5-10)22-15-11(14(21-22)16(17)23)6-7-13-12(15)8-19-20-13/h2-5,8,18H,6-7H2,1H3,(H2,17,23)(H,19,20)
InChIKeyMTIKFQKFTRIHCE-UHFFFAOYSA-N
XLogP0.37
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403019) is 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is CNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1.
What is the InChIKey of 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is MTIKFQKFTRIHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-18-26(24,25)10-4-2-9(3-5-10)22-15-11(14(21-22)16(17)23)6-7-13-12(15)8-19-20-13/h2-5,8,18H,6-7H2,1H3,(H2,17,23)(H,19,20).
What are the key properties of 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).