3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine

C15H21N3S — CID 123961283

IUPAC3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCCC(C)c1cc(-c2cc(N)n(C)n2)ccc1SC
InChIInChI=1S/C15H21N3S/c1-5-10(2)12-8-11(6-7-14(12)19-4)13-9-15(16)18(3)17-13/h6-10H,5,16H2,1-4H3
InChIKeyXWAARCQUDSJDQF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.90
Rot. Bonds4

About 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine

3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine (PubChem CID 123961283) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
PubChem CID123961283
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCCC(C)c1cc(-c2cc(N)n(C)n2)ccc1SC
InChIInChI=1S/C15H21N3S/c1-5-10(2)12-8-11(6-7-14(12)19-4)13-9-15(16)18(3)17-13/h6-10H,5,16H2,1-4H3
InChIKeyXWAARCQUDSJDQF-UHFFFAOYSA-N
XLogP3.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-heptan-4-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 123625778
1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985
4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol
CID 137017249
1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine
CID 117479047
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117413350
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine
CID 117433998
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 63744696
3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117293427

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine (CID 123961283) is 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine is CCC(C)c1cc(-c2cc(N)n(C)n2)ccc1SC.
What is the InChIKey of 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is XWAARCQUDSJDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-10(2)12-8-11(6-7-14(12)19-4)13-9-15(16)18(3)17-13/h6-10H,5,16H2,1-4H3.
What are the key properties of 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 275.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 123961283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).