2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide

C16H19N3O2 — CID 71810098

IUPAC2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2cnn(C3CCOC3)c2)c1
InChIInChI=1S/C16H19N3O2/c1-12-3-2-4-13(7-12)8-16(20)18-14-9-17-19(10-14)15-5-6-21-11-15/h2-4,7,9-10,15H,5-6,8,11H2,1H3,(H,18,20)
InChIKeyFLFMYOYGUWNMFI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.33
Rot. Bonds4

About 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide

2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide (PubChem CID 71810098) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
PubChem CID71810098
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2cnn(C3CCOC3)c2)c1
InChIInChI=1S/C16H19N3O2/c1-12-3-2-4-13(7-12)8-16(20)18-14-9-17-19(10-14)15-5-6-21-11-15/h2-4,7,9-10,15H,5-6,8,11H2,1H3,(H,18,20)
InChIKeyFLFMYOYGUWNMFI-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide (CID 71810098) is 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide is Cc1cccc(CC(=O)Nc2cnn(C3CCOC3)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The InChIKey is FLFMYOYGUWNMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-3-2-4-13(7-12)8-16(20)18-14-9-17-19(10-14)15-5-6-21-11-15/h2-4,7,9-10,15H,5-6,8,11H2,1H3,(H,18,20).
What are the key properties of 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 71810098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).