ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate

C19H17ClN2O3 — CID 15002724

IUPACethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(23)17-12-18(13-4-10-16(24-2)11-5-13)22(21-17)15-8-6-14(20)7-9-15/h4-12H,3H2,1-2H3
InChIKeyCNIFCMAPADKPCY-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.38
Rot. Bonds5

About ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate

ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate (PubChem CID 15002724) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate
PubChem CID15002724
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Nameethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(23)17-12-18(13-4-10-16(24-2)11-5-13)22(21-17)15-8-6-14(20)7-9-15/h4-12H,3H2,1-2H3
InChIKeyCNIFCMAPADKPCY-UHFFFAOYSA-N
XLogP4.38
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
TC Lpa5 4
CID 66552906
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
5-(4-Ethoxyphenyl)-1-(4-phenoxyphenyl)pyrazole-3-carboxylic acid
CID 127047005
1-(4-Phenoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid
CID 127047006
ER-34122
CID 9892473
Ethyl 1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylpyrazole-5-carboxylate
CID 42601288
[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 71698176
1-(3-Bromophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 118735611
1-(3,4-Dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 118735613
Ethyl 1-(4-chlorophenyl)-5-[3-(cyclohexylcarbamoyloxy)phenyl]pyrazole-3-carboxylate
CID 118736028
Ethyl 5-[3-(cyclohexylcarbamoyloxy)phenyl]-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate
CID 118736174

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate (CID 15002724) is ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate?
The InChIKey is CNIFCMAPADKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-25-19(23)17-12-18(13-4-10-16(24-2)11-5-13)22(21-17)15-8-6-14(20)7-9-15/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate?
ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 4.38, 5 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-(4-methoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 15002724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).