1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide

C16H13N5O3S — CID 5331020

IUPAC1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1
InChIInChI=1S/C16H13N5O3S/c1-25(23,24)10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8,20H,1H3,(H2,17,22)
InChIKeyAMDWVOAERAKTPB-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.40
Rot. Bonds3

About 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide

1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331020) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331020
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC Name1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1
InChIInChI=1S/C16H13N5O3S/c1-25(23,24)10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8,20H,1H3,(H2,17,22)
InChIKeyAMDWVOAERAKTPB-UHFFFAOYSA-N
XLogP1.40
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide (CID 5331020) is 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide is CS(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is AMDWVOAERAKTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c1-25(23,24)10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8,20H,1H3,(H2,17,22).
What are the key properties of 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).