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

C12H13N3O — CID 846003

IUPACN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1
InChIInChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)11-7-12(15-14-11)13-9(2)16/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyXEFSXAWCUNZOCU-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.34
Rot. Bonds2

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

N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 846003) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide
PubChem CID846003
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1
InChIInChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)11-7-12(15-14-11)13-9(2)16/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyXEFSXAWCUNZOCU-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-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide (CID 846003) is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is XEFSXAWCUNZOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)11-7-12(15-14-11)13-9(2)16/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide?
N-[5-(4-methylphenyl)-1H-pyrazol-3-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-(4-methylphenyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 846003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).