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

C12H10Cl2N2O2 — CID 139926661

IUPACethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2O2/c1-2-18-12(17)10-7-11(14)16(15-10)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKeyFFXPEXRGOGNHGQ-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.36
Rot. Bonds3

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

ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate (PubChem CID 139926661) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
PubChem CID139926661
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Nameethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2O2/c1-2-18-12(17)10-7-11(14)16(15-10)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChIKeyFFXPEXRGOGNHGQ-UHFFFAOYSA-N
XLogP3.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 14399715
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
CID 142640195
ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 22831913
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CID 158834534
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
CID 7184900
ethyl 1-(4-cyanophenyl)-5-methylpyrazole-3-carboxylate
CID 129139557
ethyl 5-(4-chlorophenyl)-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 46083143

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate (CID 139926661) is ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(Cl)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate?
The InChIKey is FFXPEXRGOGNHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-2-18-12(17)10-7-11(14)16(15-10)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate?
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate has a molecular weight of 285.13 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 139926661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).