ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate

C9H14N2O3 — CID 86692037

IUPACethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1C(C)OC
InChIInChI=1S/C9H14N2O3/c1-4-14-9(12)7-5-10-11-8(7)6(2)13-3/h5-6H,4H2,1-3H3,(H,10,11)
InChIKeyCRJFPFSZQGSOQI-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.29
Rot. Bonds4

About ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate

ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate (PubChem CID 86692037) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate
PubChem CID86692037
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nameethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1C(C)OC
InChIInChI=1S/C9H14N2O3/c1-4-14-9(12)7-5-10-11-8(7)6(2)13-3/h5-6H,4H2,1-3H3,(H,10,11)
InChIKeyCRJFPFSZQGSOQI-UHFFFAOYSA-N
XLogP1.29
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110470734
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate
CID 167750622
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate
CID 70087855
ethyl 5-(2-chloro-2-oxoethyl)-1H-pyrazole-4-carboxylate
CID 123571430
ethyl 5-(1-hydroxy-1-sulfanylethyl)-1H-pyrazole-4-carboxylate
CID 145046879
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(hydroxycarbamothioyl)-1H-pyrazole-4-carboxylate
CID 135528316
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
3-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-3-oxopropanoic acid
CID 110480106
ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate
CID 175411581

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate (CID 86692037) is ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1C(C)OC.
What is the InChIKey of ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate?
The InChIKey is CRJFPFSZQGSOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-14-9(12)7-5-10-11-8(7)6(2)13-3/h5-6H,4H2,1-3H3,(H,10,11).
What are the key properties of ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 86692037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).