methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate

C18H17Cl3N2O2 — CID 69303989

IUPACmethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate
SMILESCOC(=O)C1NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C18H17Cl3N2O2/c1-10-16(18(24)25-2)22-23(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-10,16-17,22H,1-2H3
InChIKeyXHXBYLBKHPZNLE-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.89
Rot. Bonds3

About methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate

methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate (PubChem CID 69303989) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate
PubChem CID69303989
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Namemethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate
SMILESCOC(=O)C1NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C18H17Cl3N2O2/c1-10-16(18(24)25-2)22-23(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-10,16-17,22H,1-2H3
InChIKeyXHXBYLBKHPZNLE-UHFFFAOYSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.71
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide
CID 143395100
methyl (4S)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxylate
CID 143395022
(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 15986551
trimethyl (2S,3S,4S,5R)-5-(4-chlorophenyl)pyrrolidine-2,3,4-tricarboxylate
CID 102044379
(3S,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 15986459
(3R,4R)-4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carbonyl chloride
CID 89258274
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112066
(3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 158469376
1-[(3R,4R)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]ethanone
CID 143395374
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 69112097
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(4-oxopiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 57453000
(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide
CID 15986129

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate (CID 69303989) is methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate is COC(=O)C1NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C.
What is the InChIKey of methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate?
The InChIKey is XHXBYLBKHPZNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-10-16(18(24)25-2)22-23(15-8-7-13(20)9-14(15)21)17(10)11-3-5-12(19)6-4-11/h3-10,16-17,22H,1-2H3.
What are the key properties of methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate?
methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate has a molecular weight of 399.71 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazolidine-3-carboxylate is sourced from PubChem (CID 69303989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).