N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline

C14H16F3N3 — CID 115762717

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
SMILESCCn1nccc1CNc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-3-20-12(6-7-19-20)9-18-11-5-4-10(2)13(8-11)14(15,16)17/h4-8,18H,3,9H2,1-2H3
InChIKeyYMJSCJLKHMNOED-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.84
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline

N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline (PubChem CID 115762717) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
PubChem CID115762717
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
SMILESCCn1nccc1CNc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-3-20-12(6-7-19-20)9-18-11-5-4-10(2)13(8-11)14(15,16)17/h4-8,18H,3,9H2,1-2H3
InChIKeyYMJSCJLKHMNOED-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline (CID 115762717) is N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline is CCn1nccc1CNc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline?
The InChIKey is YMJSCJLKHMNOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-20-12(6-7-19-20)9-18-11-5-4-10(2)13(8-11)14(15,16)17/h4-8,18H,3,9H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline?
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 283.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 115762717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).