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

C16H21F2N3 — CID 105176065

IUPAC2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1cc(C)nn1CC
InChIInChI=1S/C16H21F2N3/c1-4-19-15(16-8-11(3)20-21(16)5-2)10-12-6-7-13(17)14(18)9-12/h6-9,15,19H,4-5,10H2,1-3H3
InChIKeyITSYXYHKVRSQQA-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.38
Rot. Bonds6

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

2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105176065) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105176065
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1cc(C)nn1CC
InChIInChI=1S/C16H21F2N3/c1-4-19-15(16-8-11(3)20-21(16)5-2)10-12-6-7-13(17)14(18)9-12/h6-9,15,19H,4-5,10H2,1-3H3
InChIKeyITSYXYHKVRSQQA-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
CID 105085053
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105085268
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 105122368
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
CID 105156471
1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
CID 115816380
2-(3,4-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 82922139
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105175912
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107708
2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 105136476
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 105151896

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105176065) is 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccc(F)c(F)c1)c1cc(C)nn1CC.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is ITSYXYHKVRSQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-4-19-15(16-8-11(3)20-21(16)5-2)10-12-6-7-13(17)14(18)9-12/h6-9,15,19H,4-5,10H2,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105176065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).