N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide

C16H23N3O2 — CID 75100887

IUPACN-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide
SMILESCN(CC1CNNC1c1ccccc1)C(=O)C1CCCO1
InChIInChI=1S/C16H23N3O2/c1-19(16(20)14-8-5-9-21-14)11-13-10-17-18-15(13)12-6-3-2-4-7-12/h2-4,6-7,13-15,17-18H,5,8-11H2,1H3
InChIKeyGIQNTAWRSDJAHM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.09
Rot. Bonds4

About N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide

N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide (PubChem CID 75100887) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide
PubChem CID75100887
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide
SMILESCN(CC1CNNC1c1ccccc1)C(=O)C1CCCO1
InChIInChI=1S/C16H23N3O2/c1-19(16(20)14-8-5-9-21-14)11-13-10-17-18-15(13)12-6-3-2-4-7-12/h2-4,6-7,13-15,17-18H,5,8-11H2,1H3
InChIKeyGIQNTAWRSDJAHM-UHFFFAOYSA-N
XLogP1.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide (CID 75100887) is N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide is CN(CC1CNNC1c1ccccc1)C(=O)C1CCCO1.
What is the InChIKey of N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide?
The InChIKey is GIQNTAWRSDJAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(16(20)14-8-5-9-21-14)11-13-10-17-18-15(13)12-6-3-2-4-7-12/h2-4,6-7,13-15,17-18H,5,8-11H2,1H3.
What are the key properties of N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide?
N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 75100887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).