ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate

C10H13F2N3O3 — CID 126832537

IUPACethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)cc1NC(=O)C(F)F
InChIInChI=1S/C10H13F2N3O3/c1-3-18-8(16)5-15-7(4-6(2)14-15)13-10(17)9(11)12/h4,9H,3,5H2,1-2H3,(H,13,17)
InChIKeyWDEZWEGQPJWUGN-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.96
Rot. Bonds5

About ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate

ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate (PubChem CID 126832537) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate
PubChem CID126832537
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC Nameethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)cc1NC(=O)C(F)F
InChIInChI=1S/C10H13F2N3O3/c1-3-18-8(16)5-15-7(4-6(2)14-15)13-10(17)9(11)12/h4,9H,3,5H2,1-2H3,(H,13,17)
InChIKeyWDEZWEGQPJWUGN-UHFFFAOYSA-N
XLogP0.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-methoxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162669511
Ethyl 5-amino-3-methyl-1H-pyrazole-1-acetate
CID 7176034
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810934
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53618525
Methyl 2-(3-amino-5-methyl-1H-pyrazol-1-yl)acetate
CID 50999529
2,2,2-trifluoroethyl N-(1,5-dimethyl-1H-pyrazol-3-yl)carbamate
CID 129912647
ethyl 2-((3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)amino)-2-oxoacetate
CID 135752909
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 47000130
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-2-ethoxypropanamide
CID 132304540
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
CID 138012257
ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate
CID 164631177
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 59492320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate (CID 126832537) is ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C)cc1NC(=O)C(F)F.
What is the InChIKey of ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate?
The InChIKey is WDEZWEGQPJWUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c1-3-18-8(16)5-15-7(4-6(2)14-15)13-10(17)9(11)12/h4,9H,3,5H2,1-2H3,(H,13,17).
What are the key properties of ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate?
ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate has a molecular weight of 261.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate is sourced from PubChem (CID 126832537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).