2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide

C12H13N3O — CID 43429565

IUPAC2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)6-12(16)15-11-7-13-14-8-11/h2-5,7-8H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyPJCHEZGMRTZFLE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.90
Rot. Bonds3

About 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide

2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429565) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429565
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)6-12(16)15-11-7-13-14-8-11/h2-5,7-8H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyPJCHEZGMRTZFLE-UHFFFAOYSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
CID 113251561
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
2-(3-hydroxyphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 61399438
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
CID 66386649
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429579
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide (CID 43429565) is 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide is Cc1ccccc1CC(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is PJCHEZGMRTZFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)6-12(16)15-11-7-13-14-8-11/h2-5,7-8H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide?
2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).