ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate

C11H18N2O3 — CID 123927688

IUPACethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate
SMILESCCOCc1[nH]nc(C(=O)OCC)c1CC
InChIInChI=1S/C11H18N2O3/c1-4-8-9(7-15-5-2)12-13-10(8)11(14)16-6-3/h4-7H2,1-3H3,(H,12,13)
InChIKeyPTCBTTFAWDEKHN-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.69
Rot. Bonds6

About ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate

ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate (PubChem CID 123927688) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate
PubChem CID123927688
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate
SMILESCCOCc1[nH]nc(C(=O)OCC)c1CC
InChIInChI=1S/C11H18N2O3/c1-4-8-9(7-15-5-2)12-13-10(8)11(14)16-6-3/h4-7H2,1-3H3,(H,12,13)
InChIKeyPTCBTTFAWDEKHN-UHFFFAOYSA-N
XLogP1.69
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
ethyl 3-amino-5-ethyl-1H-pyrazole-4-carboxylate
CID 15186424
ethyl 5-(4-chlorobutyl)-4-methyl-1H-pyrazole-3-carboxylate
CID 69492939
ethyl 4-amino-5-bromo-1H-pyrazole-3-carboxylate
CID 75525002
ethyl 4-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrazole-3-carboxylate
CID 156825900
ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate
CID 131456675
ethyl 4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 71308089
ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
CID 141380718
5-ethoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998518
ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane
CID 170574655
ethyl 5-chloro-2H-triazole-4-carboxylate
CID 6405202

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate (CID 123927688) is ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate is CCOCc1[nH]nc(C(=O)OCC)c1CC.
What is the InChIKey of ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate?
The InChIKey is PTCBTTFAWDEKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-8-9(7-15-5-2)12-13-10(8)11(14)16-6-3/h4-7H2,1-3H3,(H,12,13).
What are the key properties of ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate?
ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 123927688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).