N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C13H23N3O3S — CID 71970260

IUPACN-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCCCS(=O)(=O)N(C)C(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O3S/c1-6-7-8-20(18,19)16(5)13(17)9-12-10(2)14-15(4)11(12)3/h6-9H2,1-5H3
InChIKeyYRENJDPWGAXQBP-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.17
Rot. Bonds6

About N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 71970260) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID71970260
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCCCS(=O)(=O)N(C)C(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O3S/c1-6-7-8-20(18,19)16(5)13(17)9-12-10(2)14-15(4)11(12)3/h6-9H2,1-5H3
InChIKeyYRENJDPWGAXQBP-UHFFFAOYSA-N
XLogP1.17
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47021107
1-Thiomorpholin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 45828456
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-methoxy-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862504
N-(cyclopentylmethylsulfonyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide
CID 91662716
1-(5,5-Dioxo-5lambda6-thia-8-azaspiro[3.6]decan-8-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 138017364
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 48673873
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
CID 49066002
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylsulfonylacetamide
CID 71974774
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylsulfonylpropanamide
CID 75517635
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-propan-2-ylsulfonylacetamide
CID 84595359

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 71970260) is N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCCCS(=O)(=O)N(C)C(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is YRENJDPWGAXQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-6-7-8-20(18,19)16(5)13(17)9-12-10(2)14-15(4)11(12)3/h6-9H2,1-5H3.
What are the key properties of N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71970260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).