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

C16H15N5O3S — CID 135403023

IUPAC1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H15N5O3S/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/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19)
InChIKeyNSLNFDFRWNVNFZ-UHFFFAOYSA-N
MW357.40 g/mol
LogP0.86
Rot. Bonds3

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

1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403023) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403023
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H15N5O3S/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/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19)
InChIKeyNSLNFDFRWNVNFZ-UHFFFAOYSA-N
XLogP0.86
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403023) is 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is CS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is NSLNFDFRWNVNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/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/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19).
What are the key properties of 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).