2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide

C16H15N5O — CID 122300273

IUPAC2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2cnc(-n3cccn3)nc2)c1
InChIInChI=1S/C16H15N5O/c1-12-4-2-5-13(8-12)9-15(22)20-14-10-17-16(18-11-14)21-7-3-6-19-21/h2-8,10-11H,9H2,1H3,(H,20,22)
InChIKeyAORRHLPMVVXAOX-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.15
Rot. Bonds4

About 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide

2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide (PubChem CID 122300273) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
PubChem CID122300273
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2cnc(-n3cccn3)nc2)c1
InChIInChI=1S/C16H15N5O/c1-12-4-2-5-13(8-12)9-15(22)20-14-10-17-16(18-11-14)21-7-3-6-19-21/h2-8,10-11H,9H2,1H3,(H,20,22)
InChIKeyAORRHLPMVVXAOX-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300316
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
2-(2-methoxyphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300315
2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300328
N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
CID 122300366
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide
CID 122300397
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide (CID 122300273) is 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide is Cc1cccc(CC(=O)Nc2cnc(-n3cccn3)nc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is AORRHLPMVVXAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12-4-2-5-13(8-12)9-15(22)20-14-10-17-16(18-11-14)21-7-3-6-19-21/h2-8,10-11H,9H2,1H3,(H,20,22).
What are the key properties of 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122300273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).