3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate

C8H10F3N3O2 — CID 64565325

IUPAC3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCCC(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)1-2-16-7(15)5-14-4-6(12)3-13-14/h3-4H,1-2,5,12H2
InChIKeySRGPZTPEIVTMBU-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.96
Rot. Bonds4

About 3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate

3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 64565325) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID64565325
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCCC(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)1-2-16-7(15)5-14-4-6(12)3-13-14/h3-4H,1-2,5,12H2
InChIKeySRGPZTPEIVTMBU-UHFFFAOYSA-N
XLogP0.96
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.96
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 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of 3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate (CID 64565325) is 3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for 3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for 3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate is Nc1cnn(CC(=O)OCCC(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is SRGPZTPEIVTMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)1-2-16-7(15)5-14-4-6(12)3-13-14/h3-4H,1-2,5,12H2.
What are the key properties of 3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate?
3,3,3-trifluoropropyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 237.18 g/mol, XLogP of 0.96, 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 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 64565325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).