N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide

C24H30N4O3S — CID 142737559

IUPACN-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)c(C(NC(=O)c2ccn[nH]2)(C(C)(C)C)S(=O)(=O)c2cccc(N)c2)c(C)c1
InChIInChI=1S/C24H30N4O3S/c1-15-12-16(2)21(17(3)13-15)24(23(4,5)6,27-22(29)20-10-11-26-28-20)32(30,31)19-9-7-8-18(25)14-19/h7-14H,25H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyGFKOPZSJPQEUQN-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.02
Rot. Bonds5

About N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide

N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 142737559) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID142737559
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)c(C(NC(=O)c2ccn[nH]2)(C(C)(C)C)S(=O)(=O)c2cccc(N)c2)c(C)c1
InChIInChI=1S/C24H30N4O3S/c1-15-12-16(2)21(17(3)13-15)24(23(4,5)6,27-22(29)20-10-11-26-28-20)32(30,31)19-9-7-8-18(25)14-19/h7-14H,25H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyGFKOPZSJPQEUQN-UHFFFAOYSA-N
XLogP4.02
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide (CID 142737559) is N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide is Cc1cc(C)c(C(NC(=O)c2ccn[nH]2)(C(C)(C)C)S(=O)(=O)c2cccc(N)c2)c(C)c1.
What is the InChIKey of N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GFKOPZSJPQEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-15-12-16(2)21(17(3)13-15)24(23(4,5)6,27-22(29)20-10-11-26-28-20)32(30,31)19-9-7-8-18(25)14-19/h7-14H,25H2,1-6H3,(H,26,28)(H,27,29).
What are the key properties of N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide?
N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)sulfonyl-2,2-dimethyl-1-(2,4,6-trimethylphenyl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142737559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).