2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid

C10H14F3N3O2 — CID 112669814

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESCCc1nn(C)cc1C(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H14F3N3O2/c1-3-7-6(4-16(2)15-7)8(9(17)18)14-5-10(11,12)13/h4,8,14H,3,5H2,1-2H3,(H,17,18)
InChIKeyOWGJJWDPRDEEIZ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.26
Rot. Bonds5

About 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid

2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 112669814) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID112669814
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESCCc1nn(C)cc1C(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H14F3N3O2/c1-3-7-6(4-16(2)15-7)8(9(17)18)14-5-10(11,12)13/h4,8,14H,3,5H2,1-2H3,(H,17,18)
InChIKeyOWGJJWDPRDEEIZ-UHFFFAOYSA-N
XLogP1.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid (CID 112669814) is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid is CCc1nn(C)cc1C(NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is OWGJJWDPRDEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-7-6(4-16(2)15-7)8(9(17)18)14-5-10(11,12)13/h4,8,14H,3,5H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 265.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 112669814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).