5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C18H21Cl3N4O2 — CID 24816774

IUPAC5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl3N4O2/c1-10(2)8-25-17(21)15(11(3)23-25)18(27)24(4)9-14(26)22-16-12(19)6-5-7-13(16)20/h5-7,10H,8-9H2,1-4H3,(H,22,26)
InChIKeyNDDSMUFDHZCLEC-UHFFFAOYSA-N
MW431.75 g/mol
LogP4.52
Rot. Bonds6

About 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 24816774) has the molecular formula C18H21Cl3N4O2 and a molecular weight of 431.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID24816774
Molecular FormulaC18H21Cl3N4O2
Molecular Weight431.75 g/mol
Exact Mass430.07
IUPAC Name5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl3N4O2/c1-10(2)8-25-17(21)15(11(3)23-25)18(27)24(4)9-14(26)22-16-12(19)6-5-7-13(16)20/h5-7,10H,8-9H2,1-4H3,(H,22,26)
InChIKeyNDDSMUFDHZCLEC-UHFFFAOYSA-N
XLogP4.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.75
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 24816774) is 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1nn(CC(C)C)c(Cl)c1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is NDDSMUFDHZCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl3N4O2/c1-10(2)8-25-17(21)15(11(3)23-25)18(27)24(4)9-14(26)22-16-12(19)6-5-7-13(16)20/h5-7,10H,8-9H2,1-4H3,(H,22,26).
What are the key properties of 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 431.75 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24816774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).