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

C12H20F3N3 — CID 164926385

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane
SMILESCC.CNCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H14F3N3.C2H6/c1-14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13;1-2/h6-7,14H,2-5H2,1H3;1-2H3
InChIKeyAWUPPOZRUXBVGZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.02
Rot. Bonds4

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane (PubChem CID 164926385) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane
PubChem CID164926385
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane
SMILESCC.CNCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H14F3N3.C2H6/c1-14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13;1-2/h6-7,14H,2-5H2,1H3;1-2H3
InChIKeyAWUPPOZRUXBVGZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.02
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;ethane?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane (CID 164926385) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane is CC.CNCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane?
The InChIKey is AWUPPOZRUXBVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3.C2H6/c1-14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13;1-2/h6-7,14H,2-5H2,1H3;1-2H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylethanamine;ethane has a molecular weight of 263.31 g/mol, XLogP of 3.02, 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;ethane is sourced from PubChem (CID 164926385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).