ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate

C11H21N3O2 — CID 143211364

IUPACethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
SMILESCC.CCOC(=O)c1c(C)nn(CC)c1N
InChIInChI=1S/C9H15N3O2.C2H6/c1-4-12-8(10)7(6(3)11-12)9(13)14-5-2;1-2/h4-5,10H2,1-3H3;1-2H3
InChIKeyRZAKBBKFJXRKMI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.00
Rot. Bonds3

About ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate

ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate (PubChem CID 143211364) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
PubChem CID143211364
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nameethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
SMILESCC.CCOC(=O)c1c(C)nn(CC)c1N
InChIInChI=1S/C9H15N3O2.C2H6/c1-4-12-8(10)7(6(3)11-12)9(13)14-5-2;1-2/h4-5,10H2,1-3H3;1-2H3
InChIKeyRZAKBBKFJXRKMI-UHFFFAOYSA-N
XLogP2.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-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-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135372990
[2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 135371295
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
ethyl 5-amino-1-[(2E,4E)-hexa-2,4-dienoyl]-3-methylpyrazole-4-carboxylate
CID 110461234
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
ethyl 5-amino-3-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylate
CID 23039896
diethyl 1-[(1-aminocyclopropyl)methyl]-3-methylpyrazole-4,5-dicarboxylate
CID 144845659
ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate
CID 165488403
ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10083347
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate
CID 110468023
ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 126763838

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate?
The IUPAC name of ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate (CID 143211364) is ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate?
The canonical SMILES for ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate is CC.CCOC(=O)c1c(C)nn(CC)c1N.
What is the InChIKey of ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate?
The InChIKey is RZAKBBKFJXRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.C2H6/c1-4-12-8(10)7(6(3)11-12)9(13)14-5-2;1-2/h4-5,10H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate?
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate has a molecular weight of 227.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 143211364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).