2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C28H23N5O4S — CID 21366513

IUPAC2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2C(N)=O)n1
InChIInChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
InChIKeyZTVQIQDECDMCAI-UHFFFAOYSA-N
MW525.59 g/mol
LogP4.00
Rot. Bonds6

About 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 21366513) has the molecular formula C28H23N5O4S and a molecular weight of 525.59 g/mol. Its IUPAC name is 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID21366513
Molecular FormulaC28H23N5O4S
Molecular Weight525.59 g/mol
Exact Mass525.15
IUPAC Name2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2C(N)=O)n1
InChIInChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37)
InChIKeyZTVQIQDECDMCAI-UHFFFAOYSA-N
XLogP4.00
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 21366513) is 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2C(N)=O)n1.
What is the InChIKey of 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is ZTVQIQDECDMCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O4S/c1-17-14-25(33(32-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)34)28(35)31-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(30,36)37/h2-16H,1H3,(H2,29,34)(H,31,35)(H2,30,36,37).
What are the key properties of 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 525.59 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylnaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 21366513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).