N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C16H21F2N3 — CID 62604425

IUPACN-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2N3/c1-10(16-11(2)20-21(4)12(16)3)19-6-5-13-7-14(17)9-15(18)8-13/h7-10,19H,5-6H2,1-4H3
InChIKeySEIZNHOPTDUGJE-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 62604425) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID62604425
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2N3/c1-10(16-11(2)20-21(4)12(16)3)19-6-5-13-7-14(17)9-15(18)8-13/h7-10,19H,5-6H2,1-4H3
InChIKeySEIZNHOPTDUGJE-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63379067
N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612607
2-(3-fluorophenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588665
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
2-methyl-2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115726066
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62604800
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
1-[2-(3,5-difluorophenyl)ethyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951710
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 62604425) is N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(C)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is SEIZNHOPTDUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-10(16-11(2)20-21(4)12(16)3)19-6-5-13-7-14(17)9-15(18)8-13/h7-10,19H,5-6H2,1-4H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62604425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).