ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate

C18H29N3O5 — CID 3244478

IUPACethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C18H29N3O5/c1-8-25-14(22)12-11-19-21(9-10-26-16(24)18(5,6)7)13(12)20-15(23)17(2,3)4/h11H,8-10H2,1-7H3,(H,20,23)
InChIKeyLHNNCJDKAWWEQB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.63
Rot. Bonds6

About ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate

ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate (PubChem CID 3244478) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate
PubChem CID3244478
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Nameethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C18H29N3O5/c1-8-25-14(22)12-11-19-21(9-10-26-16(24)18(5,6)7)13(12)20-15(23)17(2,3)4/h11H,8-10H2,1-7H3,(H,20,23)
InChIKeyLHNNCJDKAWWEQB-UHFFFAOYSA-N
XLogP2.63
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
ethyl 5-[(5-nitrofuran-2-carbonyl)amino]-1-[2-(5-nitrofuran-2-carbonyl)oxyethyl]pyrazole-4-carboxylate
CID 46258601
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxylate;2-[(2-methylpropan-2-yl)oxy]ethylhydrazine
CID 157283477
ethyl 5-(difluoromethyl)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 63235025
ethyl 1-(2-amino-2-sulfanylideneethyl)-5-methylpyrazole-4-carboxylate
CID 58127856
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate
CID 67020934
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate (CID 3244478) is ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCOC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C.
What is the InChIKey of ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate?
The InChIKey is LHNNCJDKAWWEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-8-25-14(22)12-11-19-21(9-10-26-16(24)18(5,6)7)13(12)20-15(23)17(2,3)4/h11H,8-10H2,1-7H3,(H,20,23).
What are the key properties of ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate?
ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-dimethylpropanoylamino)-1-[2-(2,2-dimethylpropanoyloxy)ethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 3244478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).