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

C13H14F3N3 — CID 81247880

IUPAC1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
SMILESCc1c(C(C)N)cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-8(17)12-7-18-19(9(12)2)11-5-3-10(4-6-11)13(14,15)16/h3-8H,17H2,1-2H3
InChIKeyDVMCJHYVHJBIPM-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.22
Rot. Bonds2

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

1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine (PubChem CID 81247880) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
PubChem CID81247880
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
SMILESCc1c(C(C)N)cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-8(17)12-7-18-19(9(12)2)11-5-3-10(4-6-11)13(14,15)16/h3-8H,17H2,1-2H3
InChIKeyDVMCJHYVHJBIPM-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine (CID 81247880) is 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine is Cc1c(C(C)N)cnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine?
The InChIKey is DVMCJHYVHJBIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8(17)12-7-18-19(9(12)2)11-5-3-10(4-6-11)13(14,15)16/h3-8H,17H2,1-2H3.
What are the key properties of 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine?
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 81247880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).