ethyl 2-ethyl-5-methylpyrazole-3-carboxylate

C9H14N2O2 — CID 4154753

IUPACethyl 2-ethyl-5-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1CC
InChIInChI=1S/C9H14N2O2/c1-4-11-8(6-7(3)10-11)9(12)13-5-2/h6H,4-5H2,1-3H3
InChIKeyNTZFLNAMFHICLK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.39
Rot. Bonds3

About ethyl 2-ethyl-5-methylpyrazole-3-carboxylate

ethyl 2-ethyl-5-methylpyrazole-3-carboxylate (PubChem CID 4154753) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 2-ethyl-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-methylpyrazole-3-carboxylate
PubChem CID4154753
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl 2-ethyl-5-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1CC
InChIInChI=1S/C9H14N2O2/c1-4-11-8(6-7(3)10-11)9(12)13-5-2/h6H,4-5H2,1-3H3
InChIKeyNTZFLNAMFHICLK-UHFFFAOYSA-N
XLogP1.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
CID 671237
1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
CID 2743794
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid
CID 587721
1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid
CID 2744573
Ethyl 4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxylate
CID 1229863
1,3-Dimethyl-5-ethoxycarbonylpyrazole
CID 138576
1,5-Dimethyl-3-ethoxycarbonylpyrazole
CID 138577
1,5-dimethyl-1H-pyrazole-3-carboxylic acid
CID 587757
methyl 1-methyl-1H-pyrazole-5-carboxylate
CID 7017174
1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid
CID 16394827
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-tert-butyl-5-methylpyrazole-3-carboxylate
CID 52921547
[(2E)-3,7-dimethylocta-2,6-dienyl] 1-tert-butyl-3-propylpyrazole-5-carboxylate
CID 52921549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-methylpyrazole-3-carboxylate (CID 4154753) is ethyl 2-ethyl-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(C)nn1CC.
What is the InChIKey of ethyl 2-ethyl-5-methylpyrazole-3-carboxylate?
The InChIKey is NTZFLNAMFHICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-11-8(6-7(3)10-11)9(12)13-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-5-methylpyrazole-3-carboxylate?
ethyl 2-ethyl-5-methylpyrazole-3-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 4154753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).