ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate

C14H15ClN2O3 — CID 142640195

IUPACethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)cc2)c(OC)c1C
InChIInChI=1S/C14H15ClN2O3/c1-4-20-14(18)12-9(2)13(19-3)17(16-12)11-7-5-10(15)6-8-11/h5-8H,4H2,1-3H3
InChIKeyNEOVAFCXDCLSKM-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.02
Rot. Bonds4

About ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate

ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate (PubChem CID 142640195) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
PubChem CID142640195
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)cc2)c(OC)c1C
InChIInChI=1S/C14H15ClN2O3/c1-4-20-14(18)12-9(2)13(19-3)17(16-12)11-7-5-10(15)6-8-11/h5-8H,4H2,1-3H3
InChIKeyNEOVAFCXDCLSKM-UHFFFAOYSA-N
XLogP3.02
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
CID 7184900
ethyl 4-acetyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate
CID 162535284
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
ethyl 2-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 50849373
ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 82587186
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
ethyl 5-acetyl-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate
CID 851059
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575
ethyl 3-(4-chlorophenyl)-7-hydroxy-4,5-dioxo-6,7-dihydropyrrolo[3,4-d]pyridazine-1-carboxylate
CID 70686363
ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate
CID 24822410
ethyl 1-(2,4-dichlorophenyl)-5-ethyl-4-methylpyrazole-3-carboxylate
CID 10568187

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate (CID 142640195) is ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(OC)c1C.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate?
The InChIKey is NEOVAFCXDCLSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-4-20-14(18)12-9(2)13(19-3)17(16-12)11-7-5-10(15)6-8-11/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate?
ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate has a molecular weight of 294.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate is sourced from PubChem (CID 142640195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).