2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one

C17H18ClN3O — CID 70936653

IUPAC2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one
SMILESCN1N(c2ccc(-c3cccc(Cl)c3)cn2)C(=O)CC1(C)C
InChIInChI=1S/C17H18ClN3O/c1-17(2)10-16(22)21(20(17)3)15-8-7-13(11-19-15)12-5-4-6-14(18)9-12/h4-9,11H,10H2,1-3H3
InChIKeyJMHXKMWCJPJTHC-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.76
Rot. Bonds2

About 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one

2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one (PubChem CID 70936653) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one
PubChem CID70936653
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one
SMILESCN1N(c2ccc(-c3cccc(Cl)c3)cn2)C(=O)CC1(C)C
InChIInChI=1S/C17H18ClN3O/c1-17(2)10-16(22)21(20(17)3)15-8-7-13(11-19-15)12-5-4-6-14(18)9-12/h4-9,11H,10H2,1-3H3
InChIKeyJMHXKMWCJPJTHC-UHFFFAOYSA-N
XLogP3.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one?
The IUPAC name of 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one (CID 70936653) is 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one?
The canonical SMILES for 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one is CN1N(c2ccc(-c3cccc(Cl)c3)cn2)C(=O)CC1(C)C.
What is the InChIKey of 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one?
The InChIKey is JMHXKMWCJPJTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-17(2)10-16(22)21(20(17)3)15-8-7-13(11-19-15)12-5-4-6-14(18)9-12/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one?
2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one has a molecular weight of 315.80 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one is sourced from PubChem (CID 70936653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).