N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide

C12H13N3O — CID 10846347

IUPACN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)n[nH]c1C
InChIInChI=1S/C12H13N3O/c1-8-11(13-9(2)16)12(15-14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKeyHUGZRQHLQILQOW-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.34
Rot. Bonds2

About N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide

N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide (PubChem CID 10846347) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
PubChem CID10846347
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)n[nH]c1C
InChIInChI=1S/C12H13N3O/c1-8-11(13-9(2)16)12(15-14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKeyHUGZRQHLQILQOW-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide (CID 10846347) is N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide is CC(=O)Nc1c(-c2ccccc2)n[nH]c1C.
What is the InChIKey of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is HUGZRQHLQILQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-11(13-9(2)16)12(15-14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide?
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 215.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 10846347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).