N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine

C16H22FN3S — CID 66053102

IUPACN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CSc2ccccc2F)NCC)cn1
InChIInChI=1S/C16H22FN3S/c1-3-9-20-11-13(10-19-20)15(18-4-2)12-21-16-8-6-5-7-14(16)17/h5-8,10-11,15,18H,3-4,9,12H2,1-2H3
InChIKeyAAAMOLPFPDEZFC-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.88
Rot. Bonds8

About N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine

N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 66053102) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID66053102
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC NameN-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CSc2ccccc2F)NCC)cn1
InChIInChI=1S/C16H22FN3S/c1-3-9-20-11-13(10-19-20)15(18-4-2)12-21-16-8-6-5-7-14(16)17/h5-8,10-11,15,18H,3-4,9,12H2,1-2H3
InChIKeyAAAMOLPFPDEZFC-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 66161400
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66053103
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114656065
2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103537
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 114656036
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 63033873
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66051528
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105104098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine (CID 66053102) is N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(CSc2ccccc2F)NCC)cn1.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is AAAMOLPFPDEZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-3-9-20-11-13(10-19-20)15(18-4-2)12-21-16-8-6-5-7-14(16)17/h5-8,10-11,15,18H,3-4,9,12H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 307.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 66053102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).