1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine

C12H23N3S — CID 105108864

IUPAC1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
SMILESCCCNC(CCSC)c1cnn(CC)c1
InChIInChI=1S/C12H23N3S/c1-4-7-13-12(6-8-16-3)11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyZFXIXSWBQQKJBK-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.70
Rot. Bonds8

About 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine

1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine (PubChem CID 105108864) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
PubChem CID105108864
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
SMILESCCCNC(CCSC)c1cnn(CC)c1
InChIInChI=1S/C12H23N3S/c1-4-7-13-12(6-8-16-3)11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyZFXIXSWBQQKJBK-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135434
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105103970
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
N-[1-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66065121
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634
1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105168322
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine (CID 105108864) is 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine is CCCNC(CCSC)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine?
The InChIKey is ZFXIXSWBQQKJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-7-13-12(6-8-16-3)11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine?
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine is sourced from PubChem (CID 105108864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).