1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

C10H14F3N3 — CID 63912882

IUPAC1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCNC(Cn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C10H14F3N3/c1-14-8(7-2-3-7)6-16-5-4-9(15-16)10(11,12)13/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyLQBLZSKAFQIZCO-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.90
Rot. Bonds4

About 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 63912882) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID63912882
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCNC(Cn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C10H14F3N3/c1-14-8(7-2-3-7)6-16-5-4-9(15-16)10(11,12)13/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyLQBLZSKAFQIZCO-UHFFFAOYSA-N
XLogP1.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (CID 63912882) is 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is CNC(Cn1ccc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is LQBLZSKAFQIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-14-8(7-2-3-7)6-16-5-4-9(15-16)10(11,12)13/h4-5,7-8,14H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 233.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 63912882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).