N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide

C14H17N3O4S — CID 142978900

IUPACN-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide
SMILESCCCc1[nH][nH]c(=O)c1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17N3O4S/c1-3-4-11-12(13(18)16-15-11)14(19)17-22(20,21)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,19)(H2,15,16,18)
InChIKeyWIOAIMXOBCECNS-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.08
Rot. Bonds5

About N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide

N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide (PubChem CID 142978900) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide
PubChem CID142978900
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide
SMILESCCCc1[nH][nH]c(=O)c1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H17N3O4S/c1-3-4-11-12(13(18)16-15-11)14(19)17-22(20,21)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,19)(H2,15,16,18)
InChIKeyWIOAIMXOBCECNS-UHFFFAOYSA-N
XLogP1.08
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide (CID 142978900) is N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide is CCCc1[nH][nH]c(=O)c1C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide?
The InChIKey is WIOAIMXOBCECNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-3-4-11-12(13(18)16-15-11)14(19)17-22(20,21)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,17,19)(H2,15,16,18).
What are the key properties of N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide?
N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-3-oxo-5-propyl-1,2-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 142978900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).