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

C13H15N3O — CID 50847165

IUPACN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C13H15N3O/c1-9-3-5-11(6-4-9)13-12(8-15-16-13)7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyURZALFQNWTWCKR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.02
Rot. Bonds3

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

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 50847165) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide
PubChem CID50847165
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C13H15N3O/c1-9-3-5-11(6-4-9)13-12(8-15-16-13)7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyURZALFQNWTWCKR-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide (CID 50847165) is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide is CC(=O)NCc1cn[nH]c1-c1ccc(C)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The InChIKey is URZALFQNWTWCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-5-11(6-4-9)13-12(8-15-16-13)7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 50847165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).