1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine

C14H18ClN3S — CID 66147872

IUPAC1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCn1cc(CC(N)CSc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H18ClN3S/c1-2-18-9-11(8-17-18)6-13(16)10-19-14-5-3-4-12(15)7-14/h3-5,7-9,13H,2,6,10,16H2,1H3
InChIKeyOSEHGANEZLUVEZ-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.22
Rot. Bonds6

About 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine

1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine (PubChem CID 66147872) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
PubChem CID66147872
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCn1cc(CC(N)CSc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H18ClN3S/c1-2-18-9-11(8-17-18)6-13(16)10-19-14-5-3-4-12(15)7-14/h3-5,7-9,13H,2,6,10,16H2,1H3
InChIKeyOSEHGANEZLUVEZ-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine (CID 66147872) is 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine is CCn1cc(CC(N)CSc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The InChIKey is OSEHGANEZLUVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-2-18-9-11(8-17-18)6-13(16)10-19-14-5-3-4-12(15)7-14/h3-5,7-9,13H,2,6,10,16H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.22, 6 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-ethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 66147872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).