3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C10H14F3N3O2 — CID 66123151

IUPAC3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-3-16-8(7(14)6(2)15-16)9(17)18-5-4-10(11,12)13/h3-5,14H2,1-2H3
InChIKeyVEUVSYWQFVEKNR-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.90
Rot. Bonds4

About 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66123151) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66123151
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-3-16-8(7(14)6(2)15-16)9(17)18-5-4-10(11,12)13/h3-5,14H2,1-2H3
InChIKeyVEUVSYWQFVEKNR-UHFFFAOYSA-N
XLogP1.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66123151) is 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is VEUVSYWQFVEKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-16-8(7(14)6(2)15-16)9(17)18-5-4-10(11,12)13/h3-5,14H2,1-2H3.
What are the key properties of 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 265.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66123151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).