2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide

C12H22N4O3S — CID 60959125

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H22N4O3S/c1-4-6-13-12(17)9-16(7-5-2)20(18,19)11-8-14-15-10(11)3/h8H,4-7,9H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyPAXUGEVMKMODFQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.65
Rot. Bonds8

About 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide

2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide (PubChem CID 60959125) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide
PubChem CID60959125
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H22N4O3S/c1-4-6-13-12(17)9-16(7-5-2)20(18,19)11-8-14-15-10(11)3/h8H,4-7,9H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyPAXUGEVMKMODFQ-UHFFFAOYSA-N
XLogP0.65
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 61060306
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809282
N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113248089
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide (CID 60959125) is 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide?
The InChIKey is PAXUGEVMKMODFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-4-6-13-12(17)9-16(7-5-2)20(18,19)11-8-14-15-10(11)3/h8H,4-7,9H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide?
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide has a molecular weight of 302.40 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide is sourced from PubChem (CID 60959125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).