1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine

C16H23N3S — CID 66064619

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccc(C)cc1)Cc1cc(C)nn1C
InChIInChI=1S/C16H23N3S/c1-12-5-7-16(8-6-12)20-11-14(17-3)10-15-9-13(2)18-19(15)4/h5-9,14,17H,10-11H2,1-4H3
InChIKeyLULWKIXOYIRURD-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.96
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66064619) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
PubChem CID66064619
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccc(C)cc1)Cc1cc(C)nn1C
InChIInChI=1S/C16H23N3S/c1-12-5-7-16(8-6-12)20-11-14(17-3)10-15-9-13(2)18-19(15)4/h5-9,14,17H,10-11H2,1-4H3
InChIKeyLULWKIXOYIRURD-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
[1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226150
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine
CID 106848714
1-(2,6-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66065012
[1-(2,5-dimethylphenyl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105315883
1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
CID 104996017
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503617
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105158645
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105158616
1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine
CID 66144856
1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66066581
1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 107308754

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine (CID 66064619) is 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine is CNC(CSc1ccc(C)cc1)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is LULWKIXOYIRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12-5-7-16(8-6-12)20-11-14(17-3)10-15-9-13(2)18-19(15)4/h5-9,14,17H,10-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 289.45 g/mol, XLogP of 2.96, 6 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)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66064619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).