N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide

C24H30N4O4S — CID 2311705

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C24H30N4O4S/c1-5-16-27(17-6-2)33(31,32)21-14-12-19(13-15-21)23(29)25-22-18(3)26(4)28(24(22)30)20-10-8-7-9-11-20/h7-15H,5-6,16-17H2,1-4H3,(H,25,29)
InChIKeyFWNIHFAACZWDPR-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.55
Rot. Bonds9

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide (PubChem CID 2311705) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide
PubChem CID2311705
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C24H30N4O4S/c1-5-16-27(17-6-2)33(31,32)21-14-12-19(13-15-21)23(29)25-22-18(3)26(4)28(24(22)30)20-10-8-7-9-11-20/h7-15H,5-6,16-17H2,1-4H3,(H,25,29)
InChIKeyFWNIHFAACZWDPR-UHFFFAOYSA-N
XLogP3.55
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide (CID 2311705) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide?
The InChIKey is FWNIHFAACZWDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-5-16-27(17-6-2)33(31,32)21-14-12-19(13-15-21)23(29)25-22-18(3)26(4)28(24(22)30)20-10-8-7-9-11-20/h7-15H,5-6,16-17H2,1-4H3,(H,25,29).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide has a molecular weight of 470.60 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 2311705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).