N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine

C14H17F2N3 — CID 19625158

IUPACN-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(C)NCc1cccc(F)c1F
InChIInChI=1S/C14H17F2N3/c1-3-19-13(7-8-18-19)10(2)17-9-11-5-4-6-12(15)14(11)16/h4-8,10,17H,3,9H2,1-2H3
InChIKeyZYDVUANGQHYTCA-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.03
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine

N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 19625158) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID19625158
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(C)NCc1cccc(F)c1F
InChIInChI=1S/C14H17F2N3/c1-3-19-13(7-8-18-19)10(2)17-9-11-5-4-6-12(15)14(11)16/h4-8,10,17H,3,9H2,1-2H3
InChIKeyZYDVUANGQHYTCA-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625601
1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627709
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
[(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105246676
1-(2-ethylpyrazol-3-yl)-2-(2-fluorophenyl)ethanol
CID 63977415
2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 114972520
N-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757542
1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 60713896
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine (CID 19625158) is N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine is CCn1nccc1C(C)NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is ZYDVUANGQHYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-19-13(7-8-18-19)10(2)17-9-11-5-4-6-12(15)14(11)16/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 265.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 19625158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).