N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide

C20H21N5O2S — CID 135927395

About N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 135927395) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 135927395
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
• SMILES: O=C(Cc1cccs1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2
• InChI: InChI=1S/C20H21N5O2S/c26-18(10-13-4-3-9-28-13)22-17-11-16(12-7-8-12)24-25(17)20-21-15-6-2-1-5-14(15)19(27)23-20/h3-4,9,11-12H,1-2,5-8,10H2,(H,22,26)(H,21,23,27)
• InChIKey: QUYCIEUOPINSAL-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide (CID 135927395) is N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2.

What is the InChIKey of N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?

The InChIKey is QUYCIEUOPINSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-18(10-13-4-3-9-28-13)22-17-11-16(12-7-8-12)24-25(17)20-21-15-6-2-1-5-14(15)19(27)23-20/h3-4,9,11-12H,1-2,5-8,10H2,(H,22,26)(H,21,23,27).

What are the key properties of N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?

N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 395.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 135927395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).