3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide

C18H21N3O3 — CID 85498679

IUPAC3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C18H21N3O3/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-17-11-16(20-21-17)12-6-4-3-5-7-12/h3-10,16-17,20-21H,11H2,1-2H3,(H,19,22)
InChIKeyFLWIDTJCKSFXGF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.00
Rot. Bonds5

About 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide

3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide (PubChem CID 85498679) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
PubChem CID85498679
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C18H21N3O3/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-17-11-16(20-21-17)12-6-4-3-5-7-12/h3-10,16-17,20-21H,11H2,1-2H3,(H,19,22)
InChIKeyFLWIDTJCKSFXGF-UHFFFAOYSA-N
XLogP2.00
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide (CID 85498679) is 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide is COc1cc(OC)cc(C(=O)NC2CC(c3ccccc3)NN2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide?
The InChIKey is FLWIDTJCKSFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-17-11-16(20-21-17)12-6-4-3-5-7-12/h3-10,16-17,20-21H,11H2,1-2H3,(H,19,22).
What are the key properties of 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide?
3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide is sourced from PubChem (CID 85498679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).