1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane

C21H24Cl2N2O — CID 143816753

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane
SMILESCC.CCOCc1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H18Cl2N2O.C2H6/c1-3-24-12-17-13(2)19(14-8-10-15(20)11-9-14)23(22-17)18-7-5-4-6-16(18)21;1-2/h4-11H,3,12H2,1-2H3;1-2H3
InChIKeyCIGUTJQFKVCKPT-UHFFFAOYSA-N
MW391.34 g/mol
LogP6.72
Rot. Bonds5

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane

1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane (PubChem CID 143816753) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane
PubChem CID143816753
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane
SMILESCC.CCOCc1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H18Cl2N2O.C2H6/c1-3-24-12-17-13(2)19(14-8-10-15(20)11-9-14)23(22-17)18-7-5-4-6-16(18)21;1-2/h4-11H,3,12H2,1-2H3;1-2H3
InChIKeyCIGUTJQFKVCKPT-UHFFFAOYSA-N
XLogP6.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine
CID 10227581
1-(2-chlorophenyl)-4-methyl-5-(4-phenylmethoxyphenyl)-3-(2,2,2-trichloroethyl)pyrazole
CID 141161184
ethyl 4-bromo-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3-carboxylate
CID 58763925
5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
CID 141379304
3,5-bis(4-bromophenyl)-1-(2-chlorophenyl)-4-methylpyrazole
CID 17025628
acetylene;1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)pyrazole-3-carboxylic acid;ethane
CID 143816722
2-(2-chlorophenyl)-3-(4-chlorophenyl)-N,N-diethylpyrazolo[4,3-d]pyrimidin-7-amine
CID 69429760
[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol
CID 143943814
N-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]-2-ethoxyacetamide
CID 70684359
1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2-(3,3-dimethylpiperidin-1-yl)ethanol
CID 10411819
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69435363

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane (CID 143816753) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane is CC.CCOCc1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane?
The InChIKey is CIGUTJQFKVCKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O.C2H6/c1-3-24-12-17-13(2)19(14-8-10-15(20)11-9-14)23(22-17)18-7-5-4-6-16(18)21;1-2/h4-11H,3,12H2,1-2H3;1-2H3.
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane has a molecular weight of 391.34 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane is sourced from PubChem (CID 143816753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).