1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine

C11H21N3S — CID 65128491

IUPAC1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(N)Cc1cnn(CC)c1
InChIInChI=1S/C11H21N3S/c1-3-5-15-9-11(12)6-10-7-13-14(4-2)8-10/h7-8,11H,3-6,9,12H2,1-2H3
InChIKeyGHKPKQNXZBJDMI-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.92
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine

1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine (PubChem CID 65128491) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine
PubChem CID65128491
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(N)Cc1cnn(CC)c1
InChIInChI=1S/C11H21N3S/c1-3-5-15-9-11(12)6-10-7-13-14(4-2)8-10/h7-8,11H,3-6,9,12H2,1-2H3
InChIKeyGHKPKQNXZBJDMI-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66147872
4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid
CID 103570661
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
1-(1-ethylpyrazol-4-yl)-4-ethylsulfanylbutan-2-ol
CID 116504737
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225
1,4-diethylpyrazole;ethane
CID 143641951
1-(3,5-difluorophenyl)-3-propylsulfanylpropan-2-amine
CID 105406246
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
CID 62126098
1-(1-pentylpyrazol-4-yl)butan-2-amine
CID 62731678
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine (CID 65128491) is 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine is CCCSCC(N)Cc1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine?
The InChIKey is GHKPKQNXZBJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-5-15-9-11(12)6-10-7-13-14(4-2)8-10/h7-8,11H,3-6,9,12H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine?
1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 1.92, 7 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-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).