N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline

C13H14F3N3 — CID 56988449

IUPACN-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline
SMILESCCN(C)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C13H14F3N3/c1-3-19(2)10-6-4-5-9(7-10)11-8-12(18-17-11)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyLVGYIWIEGHPOSX-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.55
Rot. Bonds3

About N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline

N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline (PubChem CID 56988449) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline
PubChem CID56988449
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline
SMILESCCN(C)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C13H14F3N3/c1-3-19(2)10-6-4-5-9(7-10)11-8-12(18-17-11)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyLVGYIWIEGHPOSX-UHFFFAOYSA-N
XLogP3.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline?
The IUPAC name of N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline (CID 56988449) is N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline.
What is the SMILES notation for N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline?
The canonical SMILES for N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline is CCN(C)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline?
The InChIKey is LVGYIWIEGHPOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-3-19(2)10-6-4-5-9(7-10)11-8-12(18-17-11)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline?
N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline has a molecular weight of 269.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline is sourced from PubChem (CID 56988449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).