N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide

C20H25N3O — CID 70622745

IUPACN-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1C1CC(c2ccccc2)N(C)N1C
InChIInChI=1S/C20H25N3O/c1-15(24)21(2)18-13-9-8-12-17(18)20-14-19(22(3)23(20)4)16-10-6-5-7-11-16/h5-13,19-20H,14H2,1-4H3
InChIKeyMYKNOXQNTSNZDA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.63
Rot. Bonds3

About N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide

N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide (PubChem CID 70622745) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide
PubChem CID70622745
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1C1CC(c2ccccc2)N(C)N1C
InChIInChI=1S/C20H25N3O/c1-15(24)21(2)18-13-9-8-12-17(18)20-14-19(22(3)23(20)4)16-10-6-5-7-11-16/h5-13,19-20H,14H2,1-4H3
InChIKeyMYKNOXQNTSNZDA-UHFFFAOYSA-N
XLogP3.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3345
CID 3345
CID 61996
CID 61996
CID 3326
CID 3326
CID 621174
CID 621174
CID 62281
CID 62281
CID 252141
CID 252141
CID 3041260
CID 3041260
CID 62300
CID 62300
CID 527015
CID 527015
CID 83932
CID 83932
CID 527013
CID 527013
CID 62370
CID 62370

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide (CID 70622745) is N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1C1CC(c2ccccc2)N(C)N1C.
What is the InChIKey of N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide?
The InChIKey is MYKNOXQNTSNZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(24)21(2)18-13-9-8-12-17(18)20-14-19(22(3)23(20)4)16-10-6-5-7-11-16/h5-13,19-20H,14H2,1-4H3.
What are the key properties of N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide?
N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide has a molecular weight of 323.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 70622745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).