N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide

C14H14N6O — CID 46982645

IUPACN-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Cn1ccnn1
InChIInChI=1S/C14H14N6O/c1-19-13(16-14(21)10-20-8-7-15-18-20)9-12(17-19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,21)
InChIKeyVSLWEINXHOICGW-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.32
Rot. Bonds4

About N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide

N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide (PubChem CID 46982645) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
PubChem CID46982645
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Cn1ccnn1
InChIInChI=1S/C14H14N6O/c1-19-13(16-14(21)10-20-8-7-15-18-20)9-12(17-19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,21)
InChIKeyVSLWEINXHOICGW-UHFFFAOYSA-N
XLogP1.32
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 29001156
N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 155909949
N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 46992082
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
CID 46995367
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134798763
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173
N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide
CID 28766650
2-methyl-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291668
3-[2-[[2-(triazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 107272393
3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740211
1-methyl-N,3-diphenylpyrazol-5-amine
CID 10610632
N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
CID 103824714

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide (CID 46982645) is N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide is Cn1nc(-c2ccccc2)cc1NC(=O)Cn1ccnn1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide?
The InChIKey is VSLWEINXHOICGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-19-13(16-14(21)10-20-8-7-15-18-20)9-12(17-19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,21).
What are the key properties of N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide?
N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 46982645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).