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

C7H8F3N3O2 — CID 121214118

IUPACmethyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(C(F)(F)F)cc1N
InChIInChI=1S/C7H8F3N3O2/c1-15-6(14)3-13-5(11)2-4(12-13)7(8,9)10/h2H,3,11H2,1H3
InChIKeySFURCGMPCQGPKU-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.66
Rot. Bonds2

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

methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 121214118) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID121214118
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Namemethyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(C(F)(F)F)cc1N
InChIInChI=1S/C7H8F3N3O2/c1-15-6(14)3-13-5(11)2-4(12-13)7(8,9)10/h2H,3,11H2,1H3
InChIKeySFURCGMPCQGPKU-UHFFFAOYSA-N
XLogP0.66
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.66
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-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623304
1,5-Dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68912972
N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 123252707
2-[[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetic acid
CID 154882047
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 methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate (CID 121214118) is methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate is COC(=O)Cn1nc(C(F)(F)F)cc1N.
What is the InChIKey of methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is SFURCGMPCQGPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-15-6(14)3-13-5(11)2-4(12-13)7(8,9)10/h2H,3,11H2,1H3.
What are the key properties of methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate?
methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 223.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 121214118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).