1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide

C18H13Cl2N3O — CID 42637620

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide
SMILESC=Cc1c(C(N)=O)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2N3O/c1-2-13-16(18(21)24)22-23(15-6-4-3-5-14(15)20)17(13)11-7-9-12(19)10-8-11/h2-10H,1H2,(H2,21,24)
InChIKeyVZKZLYRFRZLQGJ-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.59
Rot. Bonds4

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide (PubChem CID 42637620) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide
PubChem CID42637620
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide
SMILESC=Cc1c(C(N)=O)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2N3O/c1-2-13-16(18(21)24)22-23(15-6-4-3-5-14(15)20)17(13)11-7-9-12(19)10-8-11/h2-10H,1H2,(H2,21,24)
InChIKeyVZKZLYRFRZLQGJ-UHFFFAOYSA-N
XLogP4.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
ethyl 4-bromo-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3-carboxylate
CID 58763925
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
acetylene;1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)pyrazole-3-carboxylic acid;ethane
CID 143816722
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide
CID 118923029
4-[(2Z)-2-amino-2-hydroxyiminoethyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 25024108
1-[1-(4-chlorophenyl)cyclopropyl]ethyl N-amino-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylsulfinylpyrazole-3-carboximidothioate
CID 90881744
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
CID 25027058
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(thian-4-yl)pyrazole-3-carboxamide
CID 66862919
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
CID 66863225
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 42637819
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-[2-(ethylcarbamoylamino)ethoxy]-N-pyrrolidin-1-ylpyrazole-3-carboxamide
CID 66863165

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide (CID 42637620) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide is C=Cc1c(C(N)=O)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide?
The InChIKey is VZKZLYRFRZLQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c1-2-13-16(18(21)24)22-23(15-6-4-3-5-14(15)20)17(13)11-7-9-12(19)10-8-11/h2-10H,1H2,(H2,21,24).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide has a molecular weight of 358.23 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-ethenylpyrazole-3-carboxamide is sourced from PubChem (CID 42637620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).