ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate

C12H19N3O3 — CID 110460718

IUPACethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C12H19N3O3/c1-6-18-10(16)8-7-13-15(5)9(8)14-11(17)12(2,3)4/h7H,6H2,1-5H3,(H,14,17)
InChIKeyQFOHLVYXVISBGU-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.58
Rot. Bonds3

About ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate

ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate (PubChem CID 110460718) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
PubChem CID110460718
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C12H19N3O3/c1-6-18-10(16)8-7-13-15(5)9(8)14-11(17)12(2,3)4/h7H,6H2,1-5H3,(H,14,17)
InChIKeyQFOHLVYXVISBGU-UHFFFAOYSA-N
XLogP1.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate
CID 3244478
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
3-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 2811391
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761568
ethyl 5-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19477093
ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate
CID 110492422
ethyl 5-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19266324

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate (CID 110460718) is ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)C(C)(C)C.
What is the InChIKey of ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate?
The InChIKey is QFOHLVYXVISBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6-18-10(16)8-7-13-15(5)9(8)14-11(17)12(2,3)4/h7H,6H2,1-5H3,(H,14,17).
What are the key properties of ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate?
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 110460718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).