1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine

C15H19F2N3 — CID 62125771

IUPAC1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)Cc1cnn(C)c1
InChIInChI=1S/C15H19F2N3/c1-3-18-15(7-12-9-19-20(2)10-12)6-11-4-13(16)8-14(17)5-11/h4-5,8-10,15,18H,3,6-7H2,1-2H3
InChIKeyQGTVNGIBFNNIMN-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.46
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine

1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 62125771) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID62125771
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)Cc1cnn(C)c1
InChIInChI=1S/C15H19F2N3/c1-3-18-15(7-12-9-19-20(2)10-12)6-11-4-13(16)8-14(17)5-11/h4-5,8-10,15,18H,3,6-7H2,1-2H3
InChIKeyQGTVNGIBFNNIMN-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 66426046
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799171
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105204779
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
N-ethyl-1-(4-methylphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 66065206
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 62125771) is 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine is CCNC(Cc1cc(F)cc(F)c1)Cc1cnn(C)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is QGTVNGIBFNNIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-18-15(7-12-9-19-20(2)10-12)6-11-4-13(16)8-14(17)5-11/h4-5,8-10,15,18H,3,6-7H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 62125771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).