ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate

C10H14F3N3O2 — CID 63039947

IUPACethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
SMILESCCOC(=O)C(N)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-2-18-9(17)7(14)3-5-16-6-4-8(15-16)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3
InChIKeyRVANMAVFAAMLKV-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.18
Rot. Bonds5

About ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate

ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate (PubChem CID 63039947) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
PubChem CID63039947
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Nameethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
SMILESCCOC(=O)C(N)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-2-18-9(17)7(14)3-5-16-6-4-8(15-16)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3
InChIKeyRVANMAVFAAMLKV-UHFFFAOYSA-N
XLogP1.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The IUPAC name of ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate (CID 63039947) is ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The canonical SMILES for ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate is CCOC(=O)C(N)CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The InChIKey is RVANMAVFAAMLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-18-9(17)7(14)3-5-16-6-4-8(15-16)10(11,12)13/h4,6-7H,2-3,5,14H2,1H3.
What are the key properties of ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate?
ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate has a molecular weight of 265.23 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate is sourced from PubChem (CID 63039947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).