methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate

C14H16N2O3 — CID 66778583

IUPACmethyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCCc1nn(-c2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C14H16N2O3/c1-4-13-12(14(17)19-3)9-16(15-13)10-5-7-11(18-2)8-6-10/h5-9H,4H2,1-3H3
InChIKeyKNHUOLSYNZBBTL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.23
Rot. Bonds4

About methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate

methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 66778583) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID66778583
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCCc1nn(-c2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C14H16N2O3/c1-4-13-12(14(17)19-3)9-16(15-13)10-5-7-11(18-2)8-6-10/h5-9H,4H2,1-3H3
InChIKeyKNHUOLSYNZBBTL-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate (CID 66778583) is methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate is CCc1nn(-c2ccc(OC)cc2)cc1C(=O)OC.
What is the InChIKey of methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is KNHUOLSYNZBBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-13-12(14(17)19-3)9-16(15-13)10-5-7-11(18-2)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate?
methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 66778583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).