2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide

C26H23N7OS — CID 24600072

IUPAC2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(SCC(=O)Nc3cc(-c4ccccc4)nn3-c3ccccc3)nn2)n1
InChIInChI=1S/C26H23N7OS/c1-18-15-19(2)32(30-18)23-13-14-26(29-28-23)35-17-25(34)27-24-16-22(20-9-5-3-6-10-20)31-33(24)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,27,34)
InChIKeyQMZJCMBAPJIUBJ-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.86
Rot. Bonds7

About 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide

2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 24600072) has the molecular formula C26H23N7OS and a molecular weight of 481.59 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
PubChem CID24600072
Molecular FormulaC26H23N7OS
Molecular Weight481.59 g/mol
Exact Mass481.17
IUPAC Name2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(SCC(=O)Nc3cc(-c4ccccc4)nn3-c3ccccc3)nn2)n1
InChIInChI=1S/C26H23N7OS/c1-18-15-19(2)32(30-18)23-13-14-26(29-28-23)35-17-25(34)27-24-16-22(20-9-5-3-6-10-20)31-33(24)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,27,34)
InChIKeyQMZJCMBAPJIUBJ-UHFFFAOYSA-N
XLogP4.86
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 30194136
N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide
CID 24600113
N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591647
N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112785096
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7845278
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 4538606
N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 24600183
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 42976671
1-(azepan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 17463551

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 24600072) is 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide is Cc1cc(C)n(-c2ccc(SCC(=O)Nc3cc(-c4ccccc4)nn3-c3ccccc3)nn2)n1.
What is the InChIKey of 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The InChIKey is QMZJCMBAPJIUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7OS/c1-18-15-19(2)32(30-18)23-13-14-26(29-28-23)35-17-25(34)27-24-16-22(20-9-5-3-6-10-20)31-33(24)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,27,34).
What are the key properties of 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide?
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 481.59 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 24600072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).