2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine

C10H14F3N3 — CID 164926386

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine
SMILESCNCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H14F3N3/c1-14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyLHWJOFFZLMLIPB-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.00
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine (PubChem CID 164926386) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine
PubChem CID164926386
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine
SMILESCNCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H14F3N3/c1-14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyLHWJOFFZLMLIPB-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine (CID 164926386) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine is CNCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine?
The InChIKey is LHWJOFFZLMLIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine has a molecular weight of 233.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 164926386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).