2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone

C14H24N4OS — CID 118785204

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
SMILESCSCCN1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H24N4OS/c1-11-13(12(2)16-15-11)10-14(19)18-6-4-17(5-7-18)8-9-20-3/h4-10H2,1-3H3,(H,15,16)
InChIKeyYJYKJSFDCHABHL-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.08
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone (PubChem CID 118785204) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
PubChem CID118785204
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
SMILESCSCCN1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H24N4OS/c1-11-13(12(2)16-15-11)10-14(19)18-6-4-17(5-7-18)8-9-20-3/h4-10H2,1-3H3,(H,15,16)
InChIKeyYJYKJSFDCHABHL-UHFFFAOYSA-N
XLogP1.08
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 46988868
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72869349
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-{[1-(2-methoxyethyl)piperidin-4-YL]methyl}-N-methylacetamide
CID 70747717
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97150111
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 97822331
1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 121523691
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 124293262

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone (CID 118785204) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone is CSCCN1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The InChIKey is YJYKJSFDCHABHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11-13(12(2)16-15-11)10-14(19)18-6-4-17(5-7-18)8-9-20-3/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone has a molecular weight of 296.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 118785204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).