2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C24H21N7O3S — CID 10299889

IUPAC2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3[nH]nc(N)c3c2)n1
InChIInChI=1S/C24H21N7O3S/c1-14-12-21(31(30-14)17-10-11-20-19(13-17)23(25)29-28-20)24(32)27-16-8-6-15(7-9-16)18-4-2-3-5-22(18)35(26,33)34/h2-13H,1H3,(H,27,32)(H3,25,28,29)(H2,26,33,34)
InChIKeyOHEKCCOBFUNVPU-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.21
Rot. Bonds5

About 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 10299889) has the molecular formula C24H21N7O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID10299889
Molecular FormulaC24H21N7O3S
Molecular Weight487.55 g/mol
Exact Mass487.14
IUPAC Name2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3[nH]nc(N)c3c2)n1
InChIInChI=1S/C24H21N7O3S/c1-14-12-21(31(30-14)17-10-11-20-19(13-17)23(25)29-28-20)24(32)27-16-8-6-15(7-9-16)18-4-2-3-5-22(18)35(26,33)34/h2-13H,1H3,(H,27,32)(H3,25,28,29)(H2,26,33,34)
InChIKeyOHEKCCOBFUNVPU-UHFFFAOYSA-N
XLogP3.21
TPSA161.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 10299889) is 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3[nH]nc(N)c3c2)n1.
What is the InChIKey of 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is OHEKCCOBFUNVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3S/c1-14-12-21(31(30-14)17-10-11-20-19(13-17)23(25)29-28-20)24(32)27-16-8-6-15(7-9-16)18-4-2-3-5-22(18)35(26,33)34/h2-13H,1H3,(H,27,32)(H3,25,28,29)(H2,26,33,34).
What are the key properties of 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 3.21, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-indazol-5-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 10299889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).