ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate

C18H16Cl2N2O2 — CID 19908446

IUPACethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16Cl2N2O2/c1-2-24-18(23)16-11-17(12-3-5-13(19)6-4-12)22(21-16)15-9-7-14(20)8-10-15/h3-10,17H,2,11H2,1H3
InChIKeyCZCOKNAJQPBPJO-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.86
Rot. Bonds4

About ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate

ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate (PubChem CID 19908446) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate
PubChem CID19908446
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Nameethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16Cl2N2O2/c1-2-24-18(23)16-11-17(12-3-5-13(19)6-4-12)22(21-16)15-9-7-14(20)8-10-15/h3-10,17H,2,11H2,1H3
InChIKeyCZCOKNAJQPBPJO-UHFFFAOYSA-N
XLogP4.86
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-2-(4-chlorophenyl)-3-ethoxy-3,4-dihydropyrazole-5-carboxylate
CID 124709359
methyl (3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 1214823
ethyl 2-(4-chlorophenyl)-3-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-3,4-dihydropyrazole-5-carboxylate
CID 163690249
ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 170722092
ethyl 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 23731045
(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
ethyl 2-[(3R)-3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole-4-carboxylate
CID 92525197
(3S)-2-(3-chlorophenyl)-5-ethoxycarbonyl-3,4-dihydropyrazole-3-carboxylic acid
CID 95657417
2-(2,5-dichlorophenyl)-5-ethoxycarbonyl-3,4-dihydropyrazole-3-carboxylic acid
CID 75358014
ethyl 2-(4-bromophenyl)-3-cyano-3,4-dihydropyrazole-5-carboxylate
CID 14085382
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate (CID 19908446) is ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is CZCOKNAJQPBPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-2-24-18(23)16-11-17(12-3-5-13(19)6-4-12)22(21-16)15-9-7-14(20)8-10-15/h3-10,17H,2,11H2,1H3.
What are the key properties of ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate?
ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 363.24 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 19908446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).