N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine

C15H27N3S — CID 80627877

IUPACN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1C)C1CCCS1
InChIInChI=1S/C15H27N3S/c1-4-8-16-14(15-7-6-9-19-15)11-13-10-12(5-2)17-18(13)3/h10,14-16H,4-9,11H2,1-3H3
InChIKeyLSMIZNTWVILRDO-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine

N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine (PubChem CID 80627877) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
PubChem CID80627877
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1C)C1CCCS1
InChIInChI=1S/C15H27N3S/c1-4-8-16-14(15-7-6-9-19-15)11-13-10-12(5-2)17-18(13)3/h10,14-16H,4-9,11H2,1-3H3
InChIKeyLSMIZNTWVILRDO-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thian-2-yl)ethanamine
CID 80627164
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104999026
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963875
N-[2-(1-methylpyrazol-4-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627528
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965376
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
N-[2-(3,5-dimethylphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626607
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105160172
N-[2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626755
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine (CID 80627877) is N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(CC)nn1C)C1CCCS1.
What is the InChIKey of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine?
The InChIKey is LSMIZNTWVILRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-8-16-14(15-7-6-9-19-15)11-13-10-12(5-2)17-18(13)3/h10,14-16H,4-9,11H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine?
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80627877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).