N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C15H18F3N3 — CID 105025280

IUPACN-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3N3/c1-3-19-14(10-11-8-9-21(2)20-11)12-6-4-5-7-13(12)15(16,17)18/h4-9,14,19H,3,10H2,1-2H3
InChIKeyDBZRSPHNQGQHAP-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.33
Rot. Bonds5

About N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine

N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 105025280) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID105025280
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3N3/c1-3-19-14(10-11-8-9-21(2)20-11)12-6-4-5-7-13(12)15(16,17)18/h4-9,14,19H,3,10H2,1-2H3
InChIKeyDBZRSPHNQGQHAP-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82868513
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65200285
N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105025325
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 105025280) is N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is CCNC(Cc1ccn(C)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DBZRSPHNQGQHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-19-14(10-11-8-9-21(2)20-11)12-6-4-5-7-13(12)15(16,17)18/h4-9,14,19H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 105025280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).