N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide

C18H23N3O4 — CID 51098792

IUPACN-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C18H23N3O4/c22-18(14-24-10-11-25-16-4-2-1-3-5-16)20-17-6-8-19-21(17)12-15-7-9-23-13-15/h1-6,8,15H,7,9-14H2,(H,20,22)
InChIKeyRXWLNFYJRPTHTN-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.95
Rot. Bonds9

About N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide

N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 51098792) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide
PubChem CID51098792
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C18H23N3O4/c22-18(14-24-10-11-25-16-4-2-1-3-5-16)20-17-6-8-19-21(17)12-15-7-9-23-13-15/h1-6,8,15H,7,9-14H2,(H,20,22)
InChIKeyRXWLNFYJRPTHTN-UHFFFAOYSA-N
XLogP1.95
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide (CID 51098792) is N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide is O=C(COCCOc1ccccc1)Nc1ccnn1CC1CCOC1.
What is the InChIKey of N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is RXWLNFYJRPTHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-18(14-24-10-11-25-16-4-2-1-3-5-16)20-17-6-8-19-21(17)12-15-7-9-23-13-15/h1-6,8,15H,7,9-14H2,(H,20,22).
What are the key properties of N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide?
N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 51098792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).