N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20FN7O — CID 123380767

About N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123380767) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 123380767
• Molecular Formula: C23H20FN7O
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.17
• IUPAC Name: N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C=C(F)/C=N/C=C(C)c1cc(NC(=O)c2cnn3cccnc23)n(-c2ccc(C)cc2)n1
• InChI: InChI=1S/C23H20FN7O/c1-15-5-7-18(8-6-15)31-21(11-20(29-31)16(2)12-25-13-17(3)24)28-23(32)19-14-27-30-10-4-9-26-22(19)30/h4-14H,3H2,1-2H3,(H,28,32)/b16-12?,25-13+
• InChIKey: NHUZZGCQMMPXIM-AQIWCZFTSA-N
• XLogP: 4.39
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123380767) is N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=C(F)/C=N/C=C(C)c1cc(NC(=O)c2cnn3cccnc23)n(-c2ccc(C)cc2)n1.

What is the InChIKey of N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NHUZZGCQMMPXIM-AQIWCZFTSA-N. The full InChI is InChI=1S/C23H20FN7O/c1-15-5-7-18(8-6-15)31-21(11-20(29-31)16(2)12-25-13-17(3)24)28-23(32)19-14-27-30-10-4-9-26-22(19)30/h4-14H,3H2,1-2H3,(H,28,32)/b16-12?,25-13+.

What are the key properties of N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-(2-fluoroprop-2-enylideneamino)prop-1-en-2-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123380767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).