N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C12H13N3O — CID 1244086

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C12H13N3O/c1-10(16)14-12-5-2-4-11(8-12)9-15-7-3-6-13-15/h2-8H,9H2,1H3,(H,14,16)
InChIKeyAXFVGROBGIEUAT-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.89
Rot. Bonds3

About N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 1244086) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID1244086
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C12H13N3O/c1-10(16)14-12-5-2-4-11(8-12)9-15-7-3-6-13-15/h2-8H,9H2,1H3,(H,14,16)
InChIKeyAXFVGROBGIEUAT-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 1244086) is N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is CC(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is AXFVGROBGIEUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-10(16)14-12-5-2-4-11(8-12)9-15-7-3-6-13-15/h2-8H,9H2,1H3,(H,14,16).
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 1244086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).