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

C34H36N10O3 — CID 144927169

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

3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one (PubChem CID 144927169) has the molecular formula C34H36N10O3 and a molecular weight of 632.73 g/mol. Its IUPAC name is 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one.

Molecular Properties

• Compound Name: 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
• PubChem CID: 144927169
• Molecular Formula: C34H36N10O3
• Molecular Weight: 632.73 g/mol
• Exact Mass: 632.30
• IUPAC Name: 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
• SMILES: C=C/C=N\c1c(C(N)=O)c(N)nn1C.CCc1nc2cccc(C#Cc3cnn(C4CN(CCO)C4)c3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C26H25N5O2.C8H11N5O/c1-2-24-28-23-10-6-7-20(25(23)26(33)31(24)21-8-4-3-5-9-21)12-11-19-15-27-30(16-19)22-17-29(18-22)13-14-32;1-3-4-11-8-5(7(10)14)6(9)12-13(8)2/h3-10,15-16,22,32H,2,13-14,17-18H2,1H3;3-4H,1H2,2H3,(H2,9,12)(H2,10,14)/b;11-4-
• InChIKey: AAHUDKYSMOVCPV-AEQRBJNFSA-N
• XLogP: 2.38
• TPSA: 175.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.73
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one?

The IUPAC name of 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one (CID 144927169) is 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one.

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

The canonical SMILES for 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one is C=C/C=N\c1c(C(N)=O)c(N)nn1C.CCc1nc2cccc(C#Cc3cnn(C4CN(CCO)C4)c3)c2c(=O)n1-c1ccccc1.

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

The InChIKey is AAHUDKYSMOVCPV-AEQRBJNFSA-N. The full InChI is InChI=1S/C26H25N5O2.C8H11N5O/c1-2-24-28-23-10-6-7-20(25(23)26(33)31(24)21-8-4-3-5-9-21)12-11-19-15-27-30(16-19)22-17-29(18-22)13-14-32;1-3-4-11-8-5(7(10)14)6(9)12-13(8)2/h3-10,15-16,22,32H,2,13-14,17-18H2,1H3;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;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one?

3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one has a molecular weight of 632.73 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[2-[1-[1-(2-hydroxyethyl)azetidin-3-yl]pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 144927169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).