N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine

C16H23N3S — CID 105025379

IUPACN-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C)n1)c1ccc(SC)cc1
InChIInChI=1S/C16H23N3S/c1-4-10-17-16(12-14-9-11-19(2)18-14)13-5-7-15(20-3)8-6-13/h5-9,11,16-17H,4,10,12H2,1-3H3
InChIKeyVIZDQWULJCEQEU-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.43
Rot. Bonds7

About N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine

N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine (PubChem CID 105025379) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
PubChem CID105025379
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C)n1)c1ccc(SC)cc1
InChIInChI=1S/C16H23N3S/c1-4-10-17-16(12-14-9-11-19(2)18-14)13-5-7-15(20-3)8-6-13/h5-9,11,16-17H,4,10,12H2,1-3H3
InChIKeyVIZDQWULJCEQEU-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025227
N-[1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877484
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 114330797
N-[2-(1-methylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755739
N-[1-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877708
N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877328
N-[1-(3-bromo-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 107953506
N-[1-(2-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025657
N-[1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82878248
N-[1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 102952007
1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine (CID 105025379) is N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C)n1)c1ccc(SC)cc1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine?
The InChIKey is VIZDQWULJCEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-10-17-16(12-14-9-11-19(2)18-14)13-5-7-15(20-3)8-6-13/h5-9,11,16-17H,4,10,12H2,1-3H3.
What are the key properties of N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine?
N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105025379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).