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

C14H16N2O3 — CID 167750622

IUPACethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OC(C)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-3-18-14(17)12-9-15-16-13(12)19-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyOADWKAITOSGUQV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.73
Rot. Bonds5

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

ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate (PubChem CID 167750622) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate
PubChem CID167750622
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OC(C)c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-3-18-14(17)12-9-15-16-13(12)19-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyOADWKAITOSGUQV-UHFFFAOYSA-N
XLogP2.73
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate
CID 86692037
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate
CID 165436337
3-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-3-oxopropanoic acid
CID 110480106
methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate
CID 167754522
ethyl 5-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110470734
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510750
ethyl 5-(4-iodophenyl)-1H-pyrazole-4-carboxylate
CID 22831672
ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713526
ethyl 5-(methylcarbamoyl)-4-[(1S)-1-phenylethoxy]-1H-pyrrole-2-carboxylate
CID 170735608
ethyl 5-(2-chloro-2-oxoethyl)-1H-pyrazole-4-carboxylate
CID 123571430
ethyl 5-(1-hydroxy-1-sulfanylethyl)-1H-pyrazole-4-carboxylate
CID 145046879

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate (CID 167750622) is ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1OC(C)c1ccccc1.
What is the InChIKey of ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate?
The InChIKey is OADWKAITOSGUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-18-14(17)12-9-15-16-13(12)19-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate?
ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 167750622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).