N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide

C18H17N7OS — CID 30956688

IUPACN-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide
SMILESCc1nnc(-c2cccc(-c3cnn(CC(=O)Nc4ccnn4C)c3)c2)s1
InChIInChI=1S/C18H17N7OS/c1-12-22-23-18(27-12)14-5-3-4-13(8-14)15-9-20-25(10-15)11-17(26)21-16-6-7-19-24(16)2/h3-10H,11H2,1-2H3,(H,21,26)
InChIKeyAIKGWBFUMGKDGX-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.75
Rot. Bonds5

About N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide

N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide (PubChem CID 30956688) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide
PubChem CID30956688
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC NameN-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide
SMILESCc1nnc(-c2cccc(-c3cnn(CC(=O)Nc4ccnn4C)c3)c2)s1
InChIInChI=1S/C18H17N7OS/c1-12-22-23-18(27-12)14-5-3-4-13(8-14)15-9-20-25(10-15)11-17(26)21-16-6-7-19-24(16)2/h3-10H,11H2,1-2H3,(H,21,26)
InChIKeyAIKGWBFUMGKDGX-UHFFFAOYSA-N
XLogP2.75
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide (CID 30956688) is N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide is Cc1nnc(-c2cccc(-c3cnn(CC(=O)Nc4ccnn4C)c3)c2)s1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide?
The InChIKey is AIKGWBFUMGKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-12-22-23-18(27-12)14-5-3-4-13(8-14)15-9-20-25(10-15)11-17(26)21-16-6-7-19-24(16)2/h3-10H,11H2,1-2H3,(H,21,26).
What are the key properties of N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide?
N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide has a molecular weight of 379.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 30956688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).