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

C15H19F2N3 — CID 64559283

IUPAC1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cnn(C)c1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3/c1-3-18-14(6-11-9-19-20(2)10-11)7-12-4-5-13(16)8-15(12)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3
InChIKeyQEIRGHWRYPOQOI-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.46
Rot. Bonds6

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

1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 64559283) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID64559283
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cnn(C)c1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3/c1-3-18-14(6-11-9-19-20(2)10-11)7-12-4-5-13(16)8-15(12)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3
InChIKeyQEIRGHWRYPOQOI-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-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107049316
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602075

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 64559283) is 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine is CCNC(Cc1cnn(C)c1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is QEIRGHWRYPOQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-18-14(6-11-9-19-20(2)10-11)7-12-4-5-13(16)8-15(12)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
1-(2,4-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-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 64559283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).