1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

C13H25N3S — CID 65136247

IUPAC1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(C)SCC(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3S/c1-5-11(4)17-9-12(14)8-13-6-7-16(15-13)10(2)3/h6-7,10-12H,5,8-9,14H2,1-4H3
InChIKeyZOMBILOKDLHAMP-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.87
Rot. Bonds7

About 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (PubChem CID 65136247) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
PubChem CID65136247
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(C)SCC(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3S/c1-5-11(4)17-9-12(14)8-13-6-7-16(15-13)10(2)3/h6-7,10-12H,5,8-9,14H2,1-4H3
InChIKeyZOMBILOKDLHAMP-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955
1-(3-bromophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 66160983
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869244
[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227116
1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219953
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105154876
1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154877
3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 104990126
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (CID 65136247) is 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is CCC(C)SCC(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is ZOMBILOKDLHAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-11(4)17-9-12(14)8-13-6-7-16(15-13)10(2)3/h6-7,10-12H,5,8-9,14H2,1-4H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 65136247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).