1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine

C11H21N3S — CID 65135062

IUPAC1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCn1cc(C(N)CSCC(C)C)cn1
InChIInChI=1S/C11H21N3S/c1-4-14-6-10(5-13-14)11(12)8-15-7-9(2)3/h5-6,9,11H,4,7-8,12H2,1-3H3
InChIKeySDKQIOPWJSFUNQ-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.29
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine

1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 65135062) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID65135062
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCn1cc(C(N)CSCC(C)C)cn1
InChIInChI=1S/C11H21N3S/c1-4-14-6-10(5-13-14)11(12)8-15-7-9(2)3/h5-6,9,11H,4,7-8,12H2,1-3H3
InChIKeySDKQIOPWJSFUNQ-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135434
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220
2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
CID 116760473

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine (CID 65135062) is 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine is CCn1cc(C(N)CSCC(C)C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is SDKQIOPWJSFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-14-6-10(5-13-14)11(12)8-15-7-9(2)3/h5-6,9,11H,4,7-8,12H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine?
1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 227.38 g/mol, XLogP of 2.29, 6 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)-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 65135062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).