ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate

C8H10F3N3O2 — CID 79872624

IUPACethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-2-16-7(15)4-14-5(8(9,10)11)3-6(12)13-14/h3H,2,4H2,1H3,(H2,12,13)
InChIKeyFJDMIMLMFMWZHQ-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.05
Rot. Bonds3

About ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate

ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 79872624) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID79872624
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Nameethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-2-16-7(15)4-14-5(8(9,10)11)3-6(12)13-14/h3H,2,4H2,1H3,(H2,12,13)
InChIKeyFJDMIMLMFMWZHQ-UHFFFAOYSA-N
XLogP1.05
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-3-methyl-1H-pyrazole-1-acetate
CID 7176034
2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 47000728
Methyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 50999529
2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 75481546
(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 4737041
2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 19576750
1,5-Dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68912972
2-[[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid
CID 154882047
1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine
CID 164558728
Ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate
CID 169179942
Ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate
CID 169179943
Ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-oxopropyl)amino]acetate
CID 169179948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate (CID 79872624) is ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(N)cc1C(F)(F)F.
What is the InChIKey of ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is FJDMIMLMFMWZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-2-16-7(15)4-14-5(8(9,10)11)3-6(12)13-14/h3H,2,4H2,1H3,(H2,12,13).
What are the key properties of ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate?
ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 237.18 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 79872624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).