N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine

C14H27N3S — CID 65135434

IUPACN-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSCC(C)C)c1cnn(CC)c1
InChIInChI=1S/C14H27N3S/c1-5-7-15-14(11-18-10-12(3)4)13-8-16-17(6-2)9-13/h8-9,12,14-15H,5-7,10-11H2,1-4H3
InChIKeyHARLUOHQJZFQLI-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.33
Rot. Bonds9

About N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine

N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine (PubChem CID 65135434) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
PubChem CID65135434
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSCC(C)C)c1cnn(CC)c1
InChIInChI=1S/C14H27N3S/c1-5-7-15-14(11-18-10-12(3)4)13-8-16-17(6-2)9-13/h8-9,12,14-15H,5-7,10-11H2,1-4H3
InChIKeyHARLUOHQJZFQLI-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
N-[1-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66065121
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135062
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65132015
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine (CID 65135434) is N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine is CCCNC(CSCC(C)C)c1cnn(CC)c1.
What is the InChIKey of N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine?
The InChIKey is HARLUOHQJZFQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-5-7-15-14(11-18-10-12(3)4)13-8-16-17(6-2)9-13/h8-9,12,14-15H,5-7,10-11H2,1-4H3.
What are the key properties of N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine?
N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine has a molecular weight of 269.46 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 65135434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).