1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine

C15H19BrClN3S — CID 66143107

IUPAC1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C15H19BrClN3S/c1-10-15(17)13(20(3)19-10)8-11(18-2)9-21-14-7-5-4-6-12(14)16/h4-7,11,18H,8-9H2,1-3H3
InChIKeyDVJCMJXBFXRKLS-UHFFFAOYSA-N
MW388.76 g/mol
LogP4.07
Rot. Bonds6

About 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine

1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine (PubChem CID 66143107) has the molecular formula C15H19BrClN3S and a molecular weight of 388.76 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine
PubChem CID66143107
Molecular FormulaC15H19BrClN3S
Molecular Weight388.76 g/mol
Exact Mass387.02
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C15H19BrClN3S/c1-10-15(17)13(20(3)19-10)8-11(18-2)9-21-14-7-5-4-6-12(14)16/h4-7,11,18H,8-9H2,1-3H3
InChIKeyDVJCMJXBFXRKLS-UHFFFAOYSA-N
XLogP4.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine
CID 66144856
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 114330434
1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 106857916
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 104996562
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104996756
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106848854
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66144269
1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol
CID 113398314

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine (CID 66143107) is 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine is CNC(CSc1ccccc1Br)Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine?
The InChIKey is DVJCMJXBFXRKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3S/c1-10-15(17)13(20(3)19-10)8-11(18-2)9-21-14-7-5-4-6-12(14)16/h4-7,11,18H,8-9H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine has a molecular weight of 388.76 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 66143107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).