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

C9H12F3N3O2 — CID 169179943

IUPACethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate
SMILESCCOC(=O)CNc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C9H12F3N3O2/c1-3-17-8(16)5-13-7-4-6(9(10,11)12)15(2)14-7/h4H,3,5H2,1-2H3,(H,13,14)
InChIKeyRTAPKRXPAZREBC-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.41
Rot. Bonds4

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

ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate (PubChem CID 169179943) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate
PubChem CID169179943
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Nameethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate
SMILESCCOC(=O)CNc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C9H12F3N3O2/c1-3-17-8(16)5-13-7-4-6(9(10,11)12)15(2)14-7/h4H,3,5H2,1-2H3,(H,13,14)
InChIKeyRTAPKRXPAZREBC-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.41
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
Methyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 50999529
(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 4737041
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-[(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]-(2-oxopropyl)amino]acetate
CID 169179948
1-(1-Methoxybutan-2-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 170788366
Ethyl 2-[3-methyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazol-1-yl]acetate
CID 178084687
Ethyl 2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetate
CID 79872624
2-[3-Amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 79872710
2-(5-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 90642858

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate (CID 169179943) is ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate is CCOC(=O)CNc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate?
The InChIKey is RTAPKRXPAZREBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-3-17-8(16)5-13-7-4-6(9(10,11)12)15(2)14-7/h4H,3,5H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate?
ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate has a molecular weight of 251.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate is sourced from PubChem (CID 169179943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).