5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide

C18H24ClN3O3 — CID 133266296

IUPAC5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide
SMILESCOC[C@H]1[C@@H](NC(=O)C2CC(c3ccc(Cl)cc3)NN2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C18H24ClN3O3/c1-24-9-13-16(12-6-7-25-17(12)13)20-18(23)15-8-14(21-22-15)10-2-4-11(19)5-3-10/h2-5,12-17,21-22H,6-9H2,1H3,(H,20,23)/t12-,13-,14?,15?,16-,17-/m0/s1
InChIKeyRVDOZJUFJHHJLX-WSPXPWNMSA-N
MW365.86 g/mol
LogP1.41
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide

5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide (PubChem CID 133266296) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide
PubChem CID133266296
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide
SMILESCOC[C@H]1[C@@H](NC(=O)C2CC(c3ccc(Cl)cc3)NN2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C18H24ClN3O3/c1-24-9-13-16(12-6-7-25-17(12)13)20-18(23)15-8-14(21-22-15)10-2-4-11(19)5-3-10/h2-5,12-17,21-22H,6-9H2,1H3,(H,20,23)/t12-,13-,14?,15?,16-,17-/m0/s1
InChIKeyRVDOZJUFJHHJLX-WSPXPWNMSA-N
XLogP1.41
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide (CID 133266296) is 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide is COC[C@H]1[C@@H](NC(=O)C2CC(c3ccc(Cl)cc3)NN2)[C@@H]2CCO[C@@H]21.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide?
The InChIKey is RVDOZJUFJHHJLX-WSPXPWNMSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-24-9-13-16(12-6-7-25-17(12)13)20-18(23)15-8-14(21-22-15)10-2-4-11(19)5-3-10/h2-5,12-17,21-22H,6-9H2,1H3,(H,20,23)/t12-,13-,14?,15?,16-,17-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide?
5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 133266296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).