1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine

C8H14ClN3S — CID 114653440

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)c1c(Cl)cnn1C
InChIInChI=1S/C8H14ClN3S/c1-3-13-5-7(10)8-6(9)4-11-12(8)2/h4,7H,3,5,10H2,1-2H3
InChIKeyUCOPTYOUHHCFNU-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine (PubChem CID 114653440) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine
PubChem CID114653440
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)c1c(Cl)cnn1C
InChIInChI=1S/C8H14ClN3S/c1-3-13-5-7(10)8-6(9)4-11-12(8)2/h4,7H,3,5,10H2,1-2H3
InChIKeyUCOPTYOUHHCFNU-UHFFFAOYSA-N
XLogP1.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 114657125
2-(3-bromophenyl)sulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethanamine
CID 114656341
[2-butan-2-ylsulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105227220
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
2-(4-chloro-1-methylpyrazol-5-yl)butanal
CID 83828959
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxybutan-1-amine
CID 114660965
2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
CID 114656223
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-3-methylbutan-1-amine
CID 114661238
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046647

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine (CID 114653440) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine is CCSCC(N)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine?
The InChIKey is UCOPTYOUHHCFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3S/c1-3-13-5-7(10)8-6(9)4-11-12(8)2/h4,7H,3,5,10H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine has a molecular weight of 219.74 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine is sourced from PubChem (CID 114653440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).