3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide

C24H29N3O5 — CID 19792787

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2C(=O)CC(c3ccc(OC)c(OC4CCCC4)c3)N2C)cc1
InChIInChI=1S/C24H29N3O5/c1-26-20(16-8-13-21(31-3)22(14-16)32-19-6-4-5-7-19)15-23(28)27(26)24(29)25-17-9-11-18(30-2)12-10-17/h8-14,19-20H,4-7,15H2,1-3H3,(H,25,29)
InChIKeyUBCABAPPWZDDGS-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.38
Rot. Bonds6

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide

3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide (PubChem CID 19792787) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide
PubChem CID19792787
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2C(=O)CC(c3ccc(OC)c(OC4CCCC4)c3)N2C)cc1
InChIInChI=1S/C24H29N3O5/c1-26-20(16-8-13-21(31-3)22(14-16)32-19-6-4-5-7-19)15-23(28)27(26)24(29)25-17-9-11-18(30-2)12-10-17/h8-14,19-20H,4-7,15H2,1-3H3,(H,25,29)
InChIKeyUBCABAPPWZDDGS-UHFFFAOYSA-N
XLogP4.38
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide (CID 19792787) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide is COc1ccc(NC(=O)N2C(=O)CC(c3ccc(OC)c(OC4CCCC4)c3)N2C)cc1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide?
The InChIKey is UBCABAPPWZDDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-26-20(16-8-13-21(31-3)22(14-16)32-19-6-4-5-7-19)15-23(28)27(26)24(29)25-17-9-11-18(30-2)12-10-17/h8-14,19-20H,4-7,15H2,1-3H3,(H,25,29).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxopyrazolidine-1-carboxamide is sourced from PubChem (CID 19792787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).