3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C9H15N3OS — CID 103856287

IUPAC3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCSCCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H15N3OS/c1-7(8-5-10-11-6-8)12-9(13)3-4-14-2/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFJEGPAASZGXEMM-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.34
Rot. Bonds5

About 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103856287) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103856287
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCSCCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H15N3OS/c1-7(8-5-10-11-6-8)12-9(13)3-4-14-2/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyFJEGPAASZGXEMM-UHFFFAOYSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855886
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 106212730
3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855945
3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856001
(2S)-2-amino-3-methyl-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]butanamide
CID 106212905
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103856287) is 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CSCCC(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is FJEGPAASZGXEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(8-5-10-11-6-8)12-9(13)3-4-14-2/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 213.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103856287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).