ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate

C12H20N2O2 — CID 91286829

IUPACethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nn(C)c1CC
InChIInChI=1S/C12H20N2O2/c1-6-9-10(12(15)16-7-2)11(8(3)4)13-14(9)5/h8H,6-7H2,1-5H3
InChIKeyOIVOMIRQQAACDO-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.28
Rot. Bonds4

About ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate

ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate (PubChem CID 91286829) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate
PubChem CID91286829
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nn(C)c1CC
InChIInChI=1S/C12H20N2O2/c1-6-9-10(12(15)16-7-2)11(8(3)4)13-14(9)5/h8H,6-7H2,1-5H3
InChIKeyOIVOMIRQQAACDO-UHFFFAOYSA-N
XLogP2.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-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-ethyl-1-methyl-1H-pyrazole-4-carboxylate
CID 14003890
Ethyl 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 71770121
1-Methyl-3-(difluoromethyl)-5-(pentafluoroethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CID 71770125
1-Methyl-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CID 89733690
ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate
CID 4421459
ethyl 5-(bromomethyl)-1,3-dimethyl-1H-pyrazole-4-carboxylate
CID 13285467
3,5-diethyl-1-methyl-1H-pyrazole-4-carboxylic acid
CID 42669878
Ethyl 3-ethyl-1-methylpyrazole-4-carboxylate
CID 14003894
Ethyl 1-methyl-3-propyl-1H-pyrazole-4-carboxylate
CID 14003895
Ethyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 19754722
methyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate
CID 43394181
Prop-2-enyl 5-fluoro-3-(1-fluoroprop-2-enyl)-1-prop-2-enylpyrazole-4-carboxylate
CID 67003915

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate (CID 91286829) is ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate is CCOC(=O)c1c(C(C)C)nn(C)c1CC.
What is the InChIKey of ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate?
The InChIKey is OIVOMIRQQAACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-6-9-10(12(15)16-7-2)11(8(3)4)13-14(9)5/h8H,6-7H2,1-5H3.
What are the key properties of ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate?
ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-1-methyl-3-propan-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 91286829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).