2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide

C14H14ClN5O — CID 61118687

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(Cl)c(C#N)c2)c(C)c1N
InChIInChI=1S/C14H14ClN5O/c1-8-14(17)9(2)20(19-8)7-13(21)18-11-3-4-12(15)10(5-11)6-16/h3-5H,7,17H2,1-2H3,(H,18,21)
InChIKeyOPZFYTYAZISAAB-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.25
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide (PubChem CID 61118687) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide
PubChem CID61118687
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(Cl)c(C#N)c2)c(C)c1N
InChIInChI=1S/C14H14ClN5O/c1-8-14(17)9(2)20(19-8)7-13(21)18-11-3-4-12(15)10(5-11)6-16/h3-5H,7,17H2,1-2H3,(H,18,21)
InChIKeyOPZFYTYAZISAAB-UHFFFAOYSA-N
XLogP2.25
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82012929
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
CID 104775388
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide
CID 66351630
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407
2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide
CID 79256372
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 71918815
2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55036060
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480
4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide
CID 65354494
2-chloro-5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 55991246

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide (CID 61118687) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(Cl)c(C#N)c2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide?
The InChIKey is OPZFYTYAZISAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-8-14(17)9(2)20(19-8)7-13(21)18-11-3-4-12(15)10(5-11)6-16/h3-5H,7,17H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide has a molecular weight of 303.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide is sourced from PubChem (CID 61118687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).