1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine

C14H18ClN3S — CID 62409941

IUPAC1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine
SMILESCc1cc(SC(c2cccc(Cl)c2)C(C)N)n(C)n1
InChIInChI=1S/C14H18ClN3S/c1-9-7-13(18(3)17-9)19-14(10(2)16)11-5-4-6-12(15)8-11/h4-8,10,14H,16H2,1-3H3
InChIKeyJCWDJTAXZCNRHP-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine

1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine (PubChem CID 62409941) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine
PubChem CID62409941
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine
SMILESCc1cc(SC(c2cccc(Cl)c2)C(C)N)n(C)n1
InChIInChI=1S/C14H18ClN3S/c1-9-7-13(18(3)17-9)19-14(10(2)16)11-5-4-6-12(15)8-11/h4-8,10,14H,16H2,1-3H3
InChIKeyJCWDJTAXZCNRHP-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
CID 62409748
2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
CID 64806110
4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 62979203
2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide
CID 114233522
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine
CID 55038610
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-one
CID 62409000
3-chloro-2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]aniline
CID 55242255
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine (CID 62409941) is 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine is Cc1cc(SC(c2cccc(Cl)c2)C(C)N)n(C)n1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine?
The InChIKey is JCWDJTAXZCNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9-7-13(18(3)17-9)19-14(10(2)16)11-5-4-6-12(15)8-11/h4-8,10,14H,16H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine?
1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 62409941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).