N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C14H26N4O3S — CID 70717468

IUPACN-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C14H26N4O3S/c1-6-18-13(10-12(16-18)9-11(2)3)14(19)15-7-8-22(20,21)17(4)5/h10-11H,6-9H2,1-5H3,(H,15,19)
InChIKeyHMTODQUQOZALAX-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.72
Rot. Bonds8

About N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70717468) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70717468
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C14H26N4O3S/c1-6-18-13(10-12(16-18)9-11(2)3)14(19)15-7-8-22(20,21)17(4)5/h10-11H,6-9H2,1-5H3,(H,15,19)
InChIKeyHMTODQUQOZALAX-UHFFFAOYSA-N
XLogP0.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

LmCPB-IN-1
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1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-3-methyl-N-propylsulfonylpyrrolidine-3-carboxamide
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1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
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CID 46963969
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 49066548
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 49067283
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-cyclopropylsulfonyl-3-methylpyrrolidine-3-carboxamide
CID 49789943
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 53538192
1-ethyl-3-isobutyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-5-carboxamide
CID 70707303
1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70710179
N-{2-[ethyl(methyl)amino]butyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70730086

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70717468) is N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is HMTODQUQOZALAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-6-18-13(10-12(16-18)9-11(2)3)14(19)15-7-8-22(20,21)17(4)5/h10-11H,6-9H2,1-5H3,(H,15,19).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70717468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).