2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide

C12H14N4OS — CID 62102213

IUPAC2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)Cn2ccc(N)n2)cc1
InChIInChI=1S/C12H14N4OS/c1-18-10-4-2-9(3-5-10)14-12(17)8-16-7-6-11(13)15-16/h2-7H,8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyDIGGFMZFLNGTMB-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.83
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 62102213) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID62102213
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)Cn2ccc(N)n2)cc1
InChIInChI=1S/C12H14N4OS/c1-18-10-4-2-9(3-5-10)14-12(17)8-16-7-6-11(13)15-16/h2-7H,8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyDIGGFMZFLNGTMB-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62102860
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316767
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
N-[4-[3-(3-aminopyrazol-1-yl)propylsulfanyl]phenyl]acetamide
CID 63310941
2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55036060
2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 63819555
N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
2-(3-aminopyrazol-1-yl)-N-quinolin-3-ylacetamide
CID 62112556

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide (CID 62102213) is 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)Cn2ccc(N)n2)cc1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is DIGGFMZFLNGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-18-10-4-2-9(3-5-10)14-12(17)8-16-7-6-11(13)15-16/h2-7H,8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 262.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 62102213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).