N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine

C15H19F2N3 — CID 105145666

IUPACN-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1cc(CC)nn1C
InChIInChI=1S/C15H19F2N3/c1-4-11-9-14(20(3)19-11)15(18-5-2)10-6-7-12(16)13(17)8-10/h6-9,15,18H,4-5H2,1-3H3
InChIKeyWYLDKBJHLCTSAE-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.96
Rot. Bonds5

About N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine

N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 105145666) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID105145666
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1cc(CC)nn1C
InChIInChI=1S/C15H19F2N3/c1-4-11-9-14(20(3)19-11)15(18-5-2)10-6-7-12(16)13(17)8-10/h6-9,15,18H,4-5H2,1-3H3
InChIKeyWYLDKBJHLCTSAE-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
CID 105093037
1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142912
N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105140865
N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
CID 105100657
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
[(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105308039
[(2,6-difluoro-3-methylphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105330191
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 107561717
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (CID 105145666) is N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1cc(CC)nn1C.
What is the InChIKey of N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is WYLDKBJHLCTSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-11-9-14(20(3)19-11)15(18-5-2)10-6-7-12(16)13(17)8-10/h6-9,15,18H,4-5H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 279.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105145666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).