2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C18H19N5O2S — CID 86822827

About 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide

2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 86822827) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

• Compound Name: 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
• PubChem CID: 86822827
• Molecular Formula: C18H19N5O2S
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.13
• IUPAC Name: 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
• SMILES: Cc1nn2cccnc2c1C(=O)NNC(=O)c1cc2c(s1)CCC(C)C2
• InChI: InChI=1S/C18H19N5O2S/c1-10-4-5-13-12(8-10)9-14(26-13)17(24)20-21-18(25)15-11(2)22-23-7-3-6-19-16(15)23/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,20,24)(H,21,25)
• InChIKey: KVVRGKNUVZPPCD-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?

The IUPAC name of 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 86822827) is 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

What is the SMILES notation for 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?

The canonical SMILES for 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide is Cc1nn2cccnc2c1C(=O)NNC(=O)c1cc2c(s1)CCC(C)C2.

What is the InChIKey of 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?

The InChIKey is KVVRGKNUVZPPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-10-4-5-13-12(8-10)9-14(26-13)17(24)20-21-18(25)15-11(2)22-23-7-3-6-19-16(15)23/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,20,24)(H,21,25).

What are the key properties of 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?

2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 369.45 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 86822827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).