1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine

C16H22ClN3S — CID 66147462

IUPAC1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
SMILESCCc1cc(CC(N)CSc2cccc(Cl)c2)n(CC)n1
InChIInChI=1S/C16H22ClN3S/c1-3-14-10-15(20(4-2)19-14)9-13(18)11-21-16-7-5-6-12(17)8-16/h5-8,10,13H,3-4,9,11,18H2,1-2H3
InChIKeyOQFJUIZFFJCOMD-UHFFFAOYSA-N
MW323.89 g/mol
LogP3.78
Rot. Bonds7

About 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine

1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine (PubChem CID 66147462) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
PubChem CID66147462
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
SMILESCCc1cc(CC(N)CSc2cccc(Cl)c2)n(CC)n1
InChIInChI=1S/C16H22ClN3S/c1-3-14-10-15(20(4-2)19-14)9-13(18)11-21-16-7-5-6-12(17)8-16/h5-8,10,13H,3-4,9,11,18H2,1-2H3
InChIKeyOQFJUIZFFJCOMD-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)sulfanyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66146421
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145999
1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66147872
2-(3-chlorophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431093
1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66146632
1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 66057081
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
CID 114200949
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001602
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine
CID 66146419

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine (CID 66147462) is 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine is CCc1cc(CC(N)CSc2cccc(Cl)c2)n(CC)n1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine?
The InChIKey is OQFJUIZFFJCOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-3-14-10-15(20(4-2)19-14)9-13(18)11-21-16-7-5-6-12(17)8-16/h5-8,10,13H,3-4,9,11,18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine?
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine has a molecular weight of 323.89 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine is sourced from PubChem (CID 66147462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).