ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate

C14H16N2O3 — CID 4092364

IUPACethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C14H16N2O3/c1-4-19-14(17)13-9-15-16(10(13)2)11-5-7-12(18-3)8-6-11/h5-9H,4H2,1-3H3
InChIKeyAPRSCISRACOKII-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.37
Rot. Bonds4

About ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate

ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate (PubChem CID 4092364) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate
PubChem CID4092364
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C14H16N2O3/c1-4-19-14(17)13-9-15-16(10(13)2)11-5-7-12(18-3)8-6-11/h5-9H,4H2,1-3H3
InChIKeyAPRSCISRACOKII-UHFFFAOYSA-N
XLogP2.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate (CID 4092364) is ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate?
The InChIKey is APRSCISRACOKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-19-14(17)13-9-15-16(10(13)2)11-5-7-12(18-3)8-6-11/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate?
ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 4092364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).