2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide

C20H19ClN6O — CID 55760915

IUPAC2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)Nc3nnc4ccccn34)c2C)cc1Cl
InChIInChI=1S/C20H19ClN6O/c1-12-7-8-15(10-17(12)21)27-14(3)16(13(2)25-27)11-19(28)22-20-24-23-18-6-4-5-9-26(18)20/h4-10H,11H2,1-3H3,(H,22,24,28)
InChIKeyJNHSVNPWJFDOHN-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.67
Rot. Bonds4

About 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide (PubChem CID 55760915) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
PubChem CID55760915
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)Nc3nnc4ccccn34)c2C)cc1Cl
InChIInChI=1S/C20H19ClN6O/c1-12-7-8-15(10-17(12)21)27-14(3)16(13(2)25-27)11-19(28)22-20-24-23-18-6-4-5-9-26(18)20/h4-10H,11H2,1-3H3,(H,22,24,28)
InChIKeyJNHSVNPWJFDOHN-UHFFFAOYSA-N
XLogP3.67
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39277335
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide
CID 56518026
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 86989788
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55760731
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 55823265
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765985
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55955069
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79220516
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-cyanocyclopentyl)acetamide
CID 87017591
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide (CID 55760915) is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide is Cc1ccc(-n2nc(C)c(CC(=O)Nc3nnc4ccccn34)c2C)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
The InChIKey is JNHSVNPWJFDOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-12-7-8-15(10-17(12)21)27-14(3)16(13(2)25-27)11-19(28)22-20-24-23-18-6-4-5-9-26(18)20/h4-10H,11H2,1-3H3,(H,22,24,28).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide?
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide has a molecular weight of 394.87 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 55760915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).