N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C24H29N5O5S — CID 134129876

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H29N5O5S/c1-17-7-9-18(10-8-17)22-16-21(24(31)26-15-5-3-2-4-6-23(30)28-32)27-29(22)19-11-13-20(14-12-19)35(25,33)34/h7-14,16,32H,2-6,15H2,1H3,(H,26,31)(H,28,30)(H2,25,33,34)
InChIKeyBVEOTPSLZBZHMW-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.68
Rot. Bonds11

About N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 134129876) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID134129876
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H29N5O5S/c1-17-7-9-18(10-8-17)22-16-21(24(31)26-15-5-3-2-4-6-23(30)28-32)27-29(22)19-11-13-20(14-12-19)35(25,33)34/h7-14,16,32H,2-6,15H2,1H3,(H,26,31)(H,28,30)(H2,25,33,34)
InChIKeyBVEOTPSLZBZHMW-UHFFFAOYSA-N
XLogP2.68
TPSA156.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 134129876) is N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is BVEOTPSLZBZHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-17-7-9-18(10-8-17)22-16-21(24(31)26-15-5-3-2-4-6-23(30)28-32)27-29(22)19-11-13-20(14-12-19)35(25,33)34/h7-14,16,32H,2-6,15H2,1H3,(H,26,31)(H,28,30)(H2,25,33,34).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 2.68, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 134129876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).