2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine

C13H14F3N3 — CID 105410763

IUPAC2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
SMILESCc1ccc(CCN)cc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H14F3N3/c1-9-2-3-10(4-5-17)6-12(9)19-8-11(7-18-19)13(14,15)16/h2-3,6-8H,4-5,17H2,1H3
InChIKeyOPAJNJAGCNMCJI-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.70
Rot. Bonds3

About 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine

2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine (PubChem CID 105410763) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
PubChem CID105410763
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
SMILESCc1ccc(CCN)cc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H14F3N3/c1-9-2-3-10(4-5-17)6-12(9)19-8-11(7-18-19)13(14,15)16/h2-3,6-8H,4-5,17H2,1H3
InChIKeyOPAJNJAGCNMCJI-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine (CID 105410763) is 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine is Cc1ccc(CCN)cc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine?
The InChIKey is OPAJNJAGCNMCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-9-2-3-10(4-5-17)6-12(9)19-8-11(7-18-19)13(14,15)16/h2-3,6-8H,4-5,17H2,1H3.
What are the key properties of 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine?
2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine is sourced from PubChem (CID 105410763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).