2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C17H21N3O2 — CID 47035643

IUPAC2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CC1CCCO1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C17H21N3O2/c21-17(11-16-7-3-10-22-16)18-12-14-5-1-2-6-15(14)13-20-9-4-8-19-20/h1-2,4-6,8-9,16H,3,7,10-13H2,(H,18,21)
InChIKeyRDPAKJSDVAIGHI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.12
Rot. Bonds6

About 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 47035643) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID47035643
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CC1CCCO1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C17H21N3O2/c21-17(11-16-7-3-10-22-16)18-12-14-5-1-2-6-15(14)13-20-9-4-8-19-20/h1-2,4-6,8-9,16H,3,7,10-13H2,(H,18,21)
InChIKeyRDPAKJSDVAIGHI-UHFFFAOYSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 47035643) is 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CC1CCCO1)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is RDPAKJSDVAIGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(11-16-7-3-10-22-16)18-12-14-5-1-2-6-15(14)13-20-9-4-8-19-20/h1-2,4-6,8-9,16H,3,7,10-13H2,(H,18,21).
What are the key properties of 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 47035643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).