N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride

C20H25ClN6O2 — CID 137168860

About N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 137168860) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
• PubChem CID: 137168860
• Molecular Formula: C20H25ClN6O2
• Molecular Weight: 416.91 g/mol
• Exact Mass: 416.17
• IUPAC Name: N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccn(C2CCCNC2)n1.Cl
• InChI: InChI=1S/C20H24N6O2.ClH/c1-2-25(13-18-22-16-8-4-3-7-15(16)19(27)23-18)20(28)17-9-11-26(24-17)14-6-5-10-21-12-14;/h3-4,7-9,11,14,21H,2,5-6,10,12-13H2,1H3,(H,22,23,27);1H
• InChIKey: WWCXYWIWCCVJQU-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.91
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride?

The IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride (CID 137168860) is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride.

What is the SMILES notation for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride?

The canonical SMILES for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccn(C2CCCNC2)n1.Cl.

What is the InChIKey of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride?

The InChIKey is WWCXYWIWCCVJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.ClH/c1-2-25(13-18-22-16-8-4-3-7-15(16)19(27)23-18)20(28)17-9-11-26(24-17)14-6-5-10-21-12-14;/h3-4,7-9,11,14,21H,2,5-6,10,12-13H2,1H3,(H,22,23,27);1H.

What are the key properties of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride?

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 137168860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).