3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one

C35H40N10O2 — CID 144927214

About 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one

3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one (PubChem CID 144927214) has the molecular formula C35H40N10O2 and a molecular weight of 632.77 g/mol. Its IUPAC name is 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one.

Molecular Properties

• Compound Name: 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one
• PubChem CID: 144927214
• Molecular Formula: C35H40N10O2
• Molecular Weight: 632.77 g/mol
• Exact Mass: 632.33
• IUPAC Name: 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one
• SMILES: C=C/C=N\c1c(C(N)=O)c(N)nn1C.CCc1nc2cccc(C#Cc3cnn(CCN(CC)CC)c3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C27H29N5O.C8H11N5O/c1-4-25-29-24-14-10-11-22(26(24)27(33)32(25)23-12-8-7-9-13-23)16-15-21-19-28-31(20-21)18-17-30(5-2)6-3;1-3-4-11-8-5(7(10)14)6(9)12-13(8)2/h7-14,19-20H,4-6,17-18H2,1-3H3;3-4H,1H2,2H3,(H2,9,12)(H2,10,14)/b;11-4-
• InChIKey: RSSIZFDPERZHSU-AEQRBJNFSA-N
• XLogP: 3.88
• TPSA: 155.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.77
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one?

The IUPAC name of 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one (CID 144927214) is 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one.

What is the SMILES notation for 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one?

The canonical SMILES for 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one is C=C/C=N\c1c(C(N)=O)c(N)nn1C.CCc1nc2cccc(C#Cc3cnn(CCN(CC)CC)c3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one?

The InChIKey is RSSIZFDPERZHSU-AEQRBJNFSA-N. The full InChI is InChI=1S/C27H29N5O.C8H11N5O/c1-4-25-29-24-14-10-11-22(26(24)27(33)32(25)23-12-8-7-9-13-23)16-15-21-19-28-31(20-21)18-17-30(5-2)6-3;1-3-4-11-8-5(7(10)14)6(9)12-13(8)2/h7-14,19-20H,4-6,17-18H2,1-3H3;3-4H,1H2,2H3,(H2,9,12)(H2,10,14)/b;11-4-.

What are the key properties of 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one?

3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one has a molecular weight of 632.77 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;5-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]ethynyl]-2-ethyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 144927214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).