N-(1-benzylpyrazol-3-yl)acetamide

C12H13N3O — CID 12572469

IUPACN-(1-benzylpyrazol-3-yl)acetamide
SMILESCC(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-10(16)13-12-7-8-15(14-12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,14,16)
InChIKeyXASMBFUCDPRHTK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.89
Rot. Bonds3

About N-(1-benzylpyrazol-3-yl)acetamide

N-(1-benzylpyrazol-3-yl)acetamide (PubChem CID 12572469) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)acetamide
PubChem CID12572469
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(1-benzylpyrazol-3-yl)acetamide
SMILESCC(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-10(16)13-12-7-8-15(14-12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,14,16)
InChIKeyXASMBFUCDPRHTK-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-(1-benzylpyrazol-3-yl)acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)acetamide (CID 12572469) is N-(1-benzylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)acetamide is CC(=O)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)acetamide?
The InChIKey is XASMBFUCDPRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-10(16)13-12-7-8-15(14-12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,14,16).
What are the key properties of N-(1-benzylpyrazol-3-yl)acetamide?
N-(1-benzylpyrazol-3-yl)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-(1-benzylpyrazol-3-yl)acetamide is sourced from PubChem (CID 12572469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).