1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine

C16H23N3S — CID 62409748

IUPAC1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(Sc1cc(C)nn1C)c1ccccc1C
InChIInChI=1S/C16H23N3S/c1-5-14(17)16(13-9-7-6-8-11(13)2)20-15-10-12(3)18-19(15)4/h6-10,14,16H,5,17H2,1-4H3
InChIKeyDGZJCQKGCIIAJK-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.61
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine

1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine (PubChem CID 62409748) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
PubChem CID62409748
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(Sc1cc(C)nn1C)c1ccccc1C
InChIInChI=1S/C16H23N3S/c1-5-14(17)16(13-9-7-6-8-11(13)2)20-15-10-12(3)18-19(15)4/h6-10,14,16H,5,17H2,1-4H3
InChIKeyDGZJCQKGCIIAJK-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol
CID 104842276
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
CID 64633207
1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine
CID 62409941
methyl 2-[2-amino-1-(2-methylphenyl)butyl]sulfanylacetate
CID 55019062
(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
CID 114066608
2-(2,5-dimethylpyrazol-3-yl)sulfanylaniline
CID 62409911
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62409749
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine
CID 62410106
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)ethanamine
CID 105091850
tert-butyl 2-[2-amino-1-(2-methylphenyl)butyl]sulfanylacetate
CID 116686935
1-(2-chlorophenyl)-1-(2,5-dimethylphenyl)sulfanylbutan-2-amine
CID 63538245
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 62408594

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine (CID 62409748) is 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine is CCC(N)C(Sc1cc(C)nn1C)c1ccccc1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine?
The InChIKey is DGZJCQKGCIIAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-14(17)16(13-9-7-6-8-11(13)2)20-15-10-12(3)18-19(15)4/h6-10,14,16H,5,17H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 62409748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).