5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one

C17H15Cl2N3O — CID 71601249

IUPAC5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CN(Cc2ccccc2)c2cc(Cl)cc(Cl)c2)[nH][nH]1
InChIInChI=1S/C17H15Cl2N3O/c18-13-6-14(19)8-16(7-13)22(10-12-4-2-1-3-5-12)11-15-9-17(23)21-20-15/h1-9H,10-11H2,(H2,20,21,23)
InChIKeyKDWWGNLZQZTPJN-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.22
Rot. Bonds5

About 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one

5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 71601249) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one
PubChem CID71601249
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CN(Cc2ccccc2)c2cc(Cl)cc(Cl)c2)[nH][nH]1
InChIInChI=1S/C17H15Cl2N3O/c18-13-6-14(19)8-16(7-13)22(10-12-4-2-1-3-5-12)11-15-9-17(23)21-20-15/h1-9H,10-11H2,(H2,20,21,23)
InChIKeyKDWWGNLZQZTPJN-UHFFFAOYSA-N
XLogP4.22
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one (CID 71601249) is 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one is O=c1cc(CN(Cc2ccccc2)c2cc(Cl)cc(Cl)c2)[nH][nH]1.
What is the InChIKey of 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is KDWWGNLZQZTPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-13-6-14(19)8-16(7-13)22(10-12-4-2-1-3-5-12)11-15-9-17(23)21-20-15/h1-9H,10-11H2,(H2,20,21,23).
What are the key properties of 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one?
5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 348.23 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 71601249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).