5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one

C13H15Cl2N3O — CID 71601384

IUPAC5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one
SMILESCN(CCCc1cc(=O)[nH][nH]1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-18(12-6-9(14)5-10(15)7-12)4-2-3-11-8-13(19)17-16-11/h5-8H,2-4H2,1H3,(H2,16,17,19)
InChIKeyPTAZWZGFSFXWAY-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.08
Rot. Bonds5

About 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one

5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one (PubChem CID 71601384) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one
PubChem CID71601384
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one
SMILESCN(CCCc1cc(=O)[nH][nH]1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-18(12-6-9(14)5-10(15)7-12)4-2-3-11-8-13(19)17-16-11/h5-8H,2-4H2,1H3,(H2,16,17,19)
InChIKeyPTAZWZGFSFXWAY-UHFFFAOYSA-N
XLogP3.08
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chloro-phenyl)-pyrazolidin-3-one
CID 767605
5-[(3,5-dichloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 57380943
5-((3,5-Dichlorophenylamino)methyl)-1H-pyrazol-3(2H)-one
CID 58453271
5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601098
5-[(4-chloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601102
5-[(3,4-dichloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601243
5-[(2,4-dichloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601244
5-[(3,5-dichloro-N-ethylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601245
5-[(3,5-dichloro-N-propan-2-ylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601246
5-[(3,5-dichloro-N-cyclopropylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601248
5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601249
2-Benzyl-5-(((3,5-dichlorophenyl)(methyl)amino)methyl)-1H-pyrazol-3(2H)-one
CID 71601388

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one (CID 71601384) is 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one is CN(CCCc1cc(=O)[nH][nH]1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one?
The InChIKey is PTAZWZGFSFXWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-18(12-6-9(14)5-10(15)7-12)4-2-3-11-8-13(19)17-16-11/h5-8H,2-4H2,1H3,(H2,16,17,19).
What are the key properties of 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one?
5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one has a molecular weight of 300.19 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 71601384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).