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

C24H23N5O3S — CID 10276414

IUPACN-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN)c2)n(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2)n1
InChIInChI=1S/C24H23N5O3S/c1-16-13-22(24(30)27-19-6-4-5-17(14-19)15-25)29(28-16)20-11-9-18(10-12-20)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
InChIKeyHEZQCDNWAYSKTQ-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.21
Rot. Bonds6

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

N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 10276414) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID10276414
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN)c2)n(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2)n1
InChIInChI=1S/C24H23N5O3S/c1-16-13-22(24(30)27-19-6-4-5-17(14-19)15-25)29(28-16)20-11-9-18(10-12-20)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32)
InChIKeyHEZQCDNWAYSKTQ-UHFFFAOYSA-N
XLogP3.21
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 10603555
2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366667
2-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 85372060
5-methyl-2-[3-(methylsulfinimidoyl)phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10896308
1-[3-(aminomethyl)phenyl]-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 54425407
2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 157118926
2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 21366647
3-(3-amino-3-oxoprop-1-ynyl)-1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-5-carboxamide
CID 10311500
2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[2-methylpropoxy(phenyl)methyl]phenyl]pyrazole-3-carboxamide
CID 126681539
2-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]benzenesulfonamide
CID 11612812
N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 11477889
2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(2-methylbutylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide
CID 126681707

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 10276414) is N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(CN)c2)n(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2)n1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is HEZQCDNWAYSKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16-13-22(24(30)27-19-6-4-5-17(14-19)15-25)29(28-16)20-11-9-18(10-12-20)21-7-2-3-8-23(21)33(26,31)32/h2-14H,15,25H2,1H3,(H,27,30)(H2,26,31,32).
What are the key properties of N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 10276414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).