2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine

C11H21N3S — CID 65132226

IUPAC2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CSC(C)C)cn1
InChIInChI=1S/C11H21N3S/c1-4-5-14-7-10(6-13-14)11(12)8-15-9(2)3/h6-7,9,11H,4-5,8,12H2,1-3H3
InChIKeyUYSFLPPNQWEXJM-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.43
Rot. Bonds6

About 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine

2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 65132226) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID65132226
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CSC(C)C)cn1
InChIInChI=1S/C11H21N3S/c1-4-5-14-7-10(6-13-14)11(12)8-15-9(2)3/h6-7,9,11H,4-5,8,12H2,1-3H3
InChIKeyUYSFLPPNQWEXJM-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103681
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135062
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine (CID 65132226) is 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(N)CSC(C)C)cn1.
What is the InChIKey of 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is UYSFLPPNQWEXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-5-14-7-10(6-13-14)11(12)8-15-9(2)3/h6-7,9,11H,4-5,8,12H2,1-3H3.
What are the key properties of 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 227.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65132226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).