N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide

C13H15N3O — CID 846004

IUPACN-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccc(C)cc2)c1C
InChIInChI=1S/C13H15N3O/c1-8-4-6-11(7-5-8)12-9(2)13(16-15-12)14-10(3)17/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeySPNOTUPHSQXUSA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.65
Rot. Bonds2

About N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide

N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 846004) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide
PubChem CID846004
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccc(C)cc2)c1C
InChIInChI=1S/C13H15N3O/c1-8-4-6-11(7-5-8)12-9(2)13(16-15-12)14-10(3)17/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeySPNOTUPHSQXUSA-UHFFFAOYSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide (CID 846004) is N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1n[nH]c(-c2ccc(C)cc2)c1C.
What is the InChIKey of N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is SPNOTUPHSQXUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-4-6-11(7-5-8)12-9(2)13(16-15-12)14-10(3)17/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide?
N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 846004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).