N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine

C16H21F2N3 — CID 105175912

IUPACN-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1c(F)ccc(C)c1F)c1cc(C)nn1CC
InChIInChI=1S/C16H21F2N3/c1-5-19-16(13-9-11(4)20-21(13)6-2)14-12(17)8-7-10(3)15(14)18/h7-9,16,19H,5-6H2,1-4H3
InChIKeyQCZGIEHCUIDVJO-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.50
Rot. Bonds5

About N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine

N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105175912) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID105175912
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1c(F)ccc(C)c1F)c1cc(C)nn1CC
InChIInChI=1S/C16H21F2N3/c1-5-19-16(13-9-11(4)20-21(13)6-2)14-12(17)8-7-10(3)15(14)18/h7-9,16,19H,5-6H2,1-4H3
InChIKeyQCZGIEHCUIDVJO-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-ethyl-5-methylpyrazol-3-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105302639
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143126
2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796
N-[(2-chlorophenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105099923
N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82822460
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105150858
N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105145044
N-[(3-bromo-2,6-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 106944472
N-[(2,5-dimethylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146439

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine (CID 105175912) is N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1c(F)ccc(C)c1F)c1cc(C)nn1CC.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is QCZGIEHCUIDVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-5-19-16(13-9-11(4)20-21(13)6-2)14-12(17)8-7-10(3)15(14)18/h7-9,16,19H,5-6H2,1-4H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 293.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105175912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).