2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid

C10H14F3N3O2 — CID 107463760

IUPAC2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCCc1nn(C)cc1NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-3-7-8(5-16(2)15-7)14-4-6(9(17)18)10(11,12)13/h5-6,14H,3-4H2,1-2H3,(H,17,18)
InChIKeyCOBNRRCFDZCXKA-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.66
Rot. Bonds5

About 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid

2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 107463760) 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)amino]methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
PubChem CID107463760
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCCc1nn(C)cc1NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-3-7-8(5-16(2)15-7)14-4-6(9(17)18)10(11,12)13/h5-6,14H,3-4H2,1-2H3,(H,17,18)
InChIKeyCOBNRRCFDZCXKA-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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)amino]methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid (CID 107463760) is 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid is CCc1nn(C)cc1NCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is COBNRRCFDZCXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-7-8(5-16(2)15-7)14-4-6(9(17)18)10(11,12)13/h5-6,14H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid?
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 265.23 g/mol, XLogP of 1.66, 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)amino]methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 107463760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).