5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide

C21H25N3O3 — CID 74415312

IUPAC5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide
SMILESCOc1ccccc1OCC1CC(C(=O)NC2(c3ccccc3)CC2)NN1
InChIInChI=1S/C21H25N3O3/c1-26-18-9-5-6-10-19(18)27-14-16-13-17(24-23-16)20(25)22-21(11-12-21)15-7-3-2-4-8-15/h2-10,16-17,23-24H,11-14H2,1H3,(H,22,25)
InChIKeyCXUASRGHPMWPMH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.11
Rot. Bonds7

About 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide (PubChem CID 74415312) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide
PubChem CID74415312
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide
SMILESCOc1ccccc1OCC1CC(C(=O)NC2(c3ccccc3)CC2)NN1
InChIInChI=1S/C21H25N3O3/c1-26-18-9-5-6-10-19(18)27-14-16-13-17(24-23-16)20(25)22-21(11-12-21)15-7-3-2-4-8-15/h2-10,16-17,23-24H,11-14H2,1H3,(H,22,25)
InChIKeyCXUASRGHPMWPMH-UHFFFAOYSA-N
XLogP2.11
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide (CID 74415312) is 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide is COc1ccccc1OCC1CC(C(=O)NC2(c3ccccc3)CC2)NN1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide?
The InChIKey is CXUASRGHPMWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-26-18-9-5-6-10-19(18)27-14-16-13-17(24-23-16)20(25)22-21(11-12-21)15-7-3-2-4-8-15/h2-10,16-17,23-24H,11-14H2,1H3,(H,22,25).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-(1-phenylcyclopropyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 74415312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).