5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide

C19H14Cl3N3O — CID 25185396

IUPAC5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26)
InChIKeyVTPKTMUCIXPGIJ-UHFFFAOYSA-N
MW406.70 g/mol
LogP5.39
Rot. Bonds4

About 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide (PubChem CID 25185396) has the molecular formula C19H14Cl3N3O and a molecular weight of 406.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
PubChem CID25185396
Molecular FormulaC19H14Cl3N3O
Molecular Weight406.70 g/mol
Exact Mass405.02
IUPAC Name5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl3N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26)
InChIKeyVTPKTMUCIXPGIJ-UHFFFAOYSA-N
XLogP5.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide (CID 25185396) is 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide is O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is VTPKTMUCIXPGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26).
What are the key properties of 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 406.70 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25185396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).