N-(5-phenyl-1H-pyrazol-3-yl)acetamide

C11H11N3O — CID 2818946

IUPACN-(5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C11H11N3O/c1-8(15)12-11-7-10(13-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyBALDTIKWQRNSBR-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.04
Rot. Bonds2

About N-(5-phenyl-1H-pyrazol-3-yl)acetamide

N-(5-phenyl-1H-pyrazol-3-yl)acetamide (PubChem CID 2818946) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)acetamide
PubChem CID2818946
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C11H11N3O/c1-8(15)12-11-7-10(13-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyBALDTIKWQRNSBR-UHFFFAOYSA-N
XLogP2.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)acetamide (CID 2818946) is N-(5-phenyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)acetamide is CC(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is BALDTIKWQRNSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8(15)12-11-7-10(13-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
N-(5-phenyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 201.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 2818946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).