1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C15H18F3N3 — CID 121283382

IUPAC1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCn1ccc(C(C)NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H18F3N3/c1-3-21-9-8-14(20-21)11(2)19-10-12-6-4-5-7-13(12)15(16,17)18/h4-9,11,19H,3,10H2,1-2H3
InChIKeySBVAODOUXRMMGQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.77
Rot. Bonds5

About 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 121283382) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID121283382
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCn1ccc(C(C)NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H18F3N3/c1-3-21-9-8-14(20-21)11(2)19-10-12-6-4-5-7-13(12)15(16,17)18/h4-9,11,19H,3,10H2,1-2H3
InChIKeySBVAODOUXRMMGQ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 121283382) is 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCn1ccc(C(C)NCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is SBVAODOUXRMMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-21-9-8-14(20-21)11(2)19-10-12-6-4-5-7-13(12)15(16,17)18/h4-9,11,19H,3,10H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 121283382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).