N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide

C13H13N3O2 — CID 833517

IUPACN-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C13H13N3O2/c1-9-7-8-16(15-9)13(18)11-3-5-12(6-4-11)14-10(2)17/h3-8H,1-2H3,(H,14,17)
InChIKeyUESFVOIMQABCRW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.84
Rot. Bonds2

About N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide

N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide (PubChem CID 833517) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide
PubChem CID833517
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C13H13N3O2/c1-9-7-8-16(15-9)13(18)11-3-5-12(6-4-11)14-10(2)17/h3-8H,1-2H3,(H,14,17)
InChIKeyUESFVOIMQABCRW-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide (CID 833517) is N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1.
What is the InChIKey of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide?
The InChIKey is UESFVOIMQABCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-7-8-16(15-9)13(18)11-3-5-12(6-4-11)14-10(2)17/h3-8H,1-2H3,(H,14,17).
What are the key properties of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide?
N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide has a molecular weight of 243.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 833517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).