ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate

C17H15Cl2N3O2 — CID 24822410

IUPACethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(-n2cccc2)c1C
InChIInChI=1S/C17H15Cl2N3O2/c1-3-24-17(23)15-11(2)16(21-8-4-5-9-21)22(20-15)12-6-7-13(18)14(19)10-12/h4-10H,3H2,1-2H3
InChIKeyKTLPYXZYYSECFP-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.45
Rot. Bonds4

About ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate

ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate (PubChem CID 24822410) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate
PubChem CID24822410
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Nameethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(-n2cccc2)c1C
InChIInChI=1S/C17H15Cl2N3O2/c1-3-24-17(23)15-11(2)16(21-8-4-5-9-21)22(20-15)12-6-7-13(18)14(19)10-12/h4-10H,3H2,1-2H3
InChIKeyKTLPYXZYYSECFP-UHFFFAOYSA-N
XLogP4.45
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
CID 142640195
ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate
CID 22769971
ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
ethyl 3-(3,4-dichlorophenyl)-5-methylimidazole-4-carboxylate
CID 69038701
ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 54706485
ethyl 5-amino-1-(3-chloro-4-fluorophenyl)-4-cyanopyrazole-3-carboxylate
CID 82589836
ethyl 1-(2,4-dichlorophenyl)-5-ethyl-4-methylpyrazole-3-carboxylate
CID 10568187
ethyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241367
ethyl 5-acetyl-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate
CID 851059
ethyl 4-pyrrol-1-ylbenzoate
CID 2736468
ethyl 1-(3,4-dichlorophenyl)-5-(difluoromethyl)pyrazole-4-carboxylate
CID 63235195
1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide
CID 50907287

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate (CID 24822410) is ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(-n2cccc2)c1C.
What is the InChIKey of ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate?
The InChIKey is KTLPYXZYYSECFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-3-24-17(23)15-11(2)16(21-8-4-5-9-21)22(20-15)12-6-7-13(18)14(19)10-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate?
ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate has a molecular weight of 364.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate is sourced from PubChem (CID 24822410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).