1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine

C13H14F3N3 — CID 105423890

IUPAC1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine
SMILESCC(N)c1c(-c2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C13H14F3N3/c1-8(17)12-11(7-18-19(12)2)9-3-5-10(6-4-9)13(14,15)16/h3-8H,17H2,1-2H3
InChIKeyCIBYZURYBYZYAF-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.13
Rot. Bonds2

About 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine

1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine (PubChem CID 105423890) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine
PubChem CID105423890
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine
SMILESCC(N)c1c(-c2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C13H14F3N3/c1-8(17)12-11(7-18-19(12)2)9-3-5-10(6-4-9)13(14,15)16/h3-8H,17H2,1-2H3
InChIKeyCIBYZURYBYZYAF-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-methyl-5-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 117127653
1-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]ethanamine
CID 105423470
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 105423901
3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol
CID 105423248
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637321
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637320
5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2807799
4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 115112521
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
4,5-bis[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrazole
CID 102137369
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine (CID 105423890) is 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine is CC(N)c1c(-c2ccc(C(F)(F)F)cc2)cnn1C.
What is the InChIKey of 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine?
The InChIKey is CIBYZURYBYZYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8(17)12-11(7-18-19(12)2)9-3-5-10(6-4-9)13(14,15)16/h3-8H,17H2,1-2H3.
What are the key properties of 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine?
1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine is sourced from PubChem (CID 105423890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).