methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate

C8H9F2N3O3 — CID 19268601

IUPACmethyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C8H9F2N3O3/c1-16-6(14)4-11-7(15)5-2-3-13(12-5)8(9)10/h2-3,8H,4H2,1H3,(H,11,15)
InChIKeyAFROBMMMJIUYAJ-UHFFFAOYSA-N
MW233.17 g/mol
LogP0.18
Rot. Bonds4

About methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate

methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate (PubChem CID 19268601) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate
PubChem CID19268601
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC Namemethyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C8H9F2N3O3/c1-16-6(14)4-11-7(15)5-2-3-13(12-5)8(9)10/h2-3,8H,4H2,1H3,(H,11,15)
InChIKeyAFROBMMMJIUYAJ-UHFFFAOYSA-N
XLogP0.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
methyl 4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
CID 154872964
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
(R)-1-Methyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-3-carboxamide
CID 1224834
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 72151204
4-Fluoro-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 124053494

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate (CID 19268601) is methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate?
The InChIKey is AFROBMMMJIUYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c1-16-6(14)4-11-7(15)5-2-3-13(12-5)8(9)10/h2-3,8H,4H2,1H3,(H,11,15).
What are the key properties of methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate?
methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate has a molecular weight of 233.17 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate is sourced from PubChem (CID 19268601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).