2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide

C13H15N3O2 — CID 71996928

IUPAC2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide
SMILESCc1cnn(Cc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C13H15N3O2/c1-10-6-15-16(7-10)8-11-3-2-4-12(5-11)18-9-13(14)17/h2-7H,8-9H2,1H3,(H2,14,17)
InChIKeyOBZOSXVXILXSHQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.10
Rot. Bonds5

About 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide

2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide (PubChem CID 71996928) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide
PubChem CID71996928
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide
SMILESCc1cnn(Cc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C13H15N3O2/c1-10-6-15-16(7-10)8-11-3-2-4-12(5-11)18-9-13(14)17/h2-7H,8-9H2,1H3,(H2,14,17)
InChIKeyOBZOSXVXILXSHQ-UHFFFAOYSA-N
XLogP1.10
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide (CID 71996928) is 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide is Cc1cnn(Cc2cccc(OCC(N)=O)c2)c1.
What is the InChIKey of 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide?
The InChIKey is OBZOSXVXILXSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-6-15-16(7-10)8-11-3-2-4-12(5-11)18-9-13(14)17/h2-7H,8-9H2,1H3,(H2,14,17).
What are the key properties of 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide?
2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylpyrazol-1-yl)methyl]phenoxy]acetamide is sourced from PubChem (CID 71996928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).