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

C12H23N3S — CID 65136012

IUPAC2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CSC(C)CC)cn1
InChIInChI=1S/C12H23N3S/c1-4-6-15-8-11(7-14-15)12(13)9-16-10(3)5-2/h7-8,10,12H,4-6,9,13H2,1-3H3
InChIKeyMTUMZUYPKQJESU-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.82
Rot. Bonds7

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

2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 65136012) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID65136012
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CSC(C)CC)cn1
InChIInChI=1S/C12H23N3S/c1-4-6-15-8-11(7-14-15)12(13)9-16-10(3)5-2/h7-8,10,12H,4-6,9,13H2,1-3H3
InChIKeyMTUMZUYPKQJESU-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
4-butan-2-yl-1-propylpyrazole
CID 130194925
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
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
1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135062
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
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-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine (CID 65136012) is 2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(N)CSC(C)CC)cn1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is MTUMZUYPKQJESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-6-15-8-11(7-14-15)12(13)9-16-10(3)5-2/h7-8,10,12H,4-6,9,13H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 241.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65136012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).