N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C17H24FN3 — CID 105142748

IUPACN-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)c1ccc(F)cc1C
InChIInChI=1S/C17H24FN3/c1-6-19-17(15-8-7-14(18)9-11(15)2)10-16-12(3)20-21(5)13(16)4/h7-9,17,19H,6,10H2,1-5H3
InChIKeyWXHWSQIVMYGDNV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105142748) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105142748
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)c1ccc(F)cc1C
InChIInChI=1S/C17H24FN3/c1-6-19-17(15-8-7-14(18)9-11(15)2)10-16-12(3)20-21(5)13(16)4/h7-9,17,19H,6,10H2,1-5H3
InChIKeyWXHWSQIVMYGDNV-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105143859
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050491
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
[1-(5-fluoro-2-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105330929
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81270125
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377494
N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105148851
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106858543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105142748) is N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCNC(Cc1c(C)nn(C)c1C)c1ccc(F)cc1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is WXHWSQIVMYGDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-6-19-17(15-8-7-14(18)9-11(15)2)10-16-12(3)20-21(5)13(16)4/h7-9,17,19H,6,10H2,1-5H3.
What are the key properties of N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105142748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).