5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one

C63H80N10O5 — CID 91315935

About 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one

5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 91315935) has the molecular formula C63H80N10O5 and a molecular weight of 1057.40 g/mol. Its IUPAC name is 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 91315935
• Molecular Formula: C63H80N10O5
• Molecular Weight: 1057.40 g/mol
• Exact Mass: 1056.63
• IUPAC Name: 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one
• SMILES: CCCCOc1ccc(-c2nc3n(c(=O)c2CCC)N=C(C)/C3=N\c2ccc(N(CC)CC)cc2C)c(OCCCC)c1.CCN(CCOC)c1ccc(/N=C2\C(C)=Nn3c2nc(-c2cccc(C)c2C)c(C)c3=O)c(C)c1
• InChI: InChI=1S/C35H47N5O3.C28H33N5O2/c1-8-13-20-42-27-17-18-28(31(23-27)43-21-14-9-2)33-29(15-10-3)35(41)40-34(37-33)32(25(7)38-40)36-30-19-16-26(22-24(30)6)39(11-4)12-5;1-8-32(14-15-35-7)22-12-13-24(18(3)16-22)29-26-21(6)31-33-27(26)30-25(20(5)28(33)34)23-11-9-10-17(2)19(23)4/h16-19,22-23H,8-15,20-21H2,1-7H3;9-13,16H,8,14-15H2,1-7H3/b36-32+;29-26+
• InChIKey: YYDPXRTXLDCHBU-RQHYXEIDSA-N
• XLogP: 12.71
• TPSA: 153.39 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.40
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one (CID 91315935) is 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one is CCCCOc1ccc(-c2nc3n(c(=O)c2CCC)N=C(C)/C3=N\c2ccc(N(CC)CC)cc2C)c(OCCCC)c1.CCN(CCOC)c1ccc(/N=C2\C(C)=Nn3c2nc(-c2cccc(C)c2C)c(C)c3=O)c(C)c1.

What is the InChIKey of 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is YYDPXRTXLDCHBU-RQHYXEIDSA-N. The full InChI is InChI=1S/C35H47N5O3.C28H33N5O2/c1-8-13-20-42-27-17-18-28(31(23-27)43-21-14-9-2)33-29(15-10-3)35(41)40-34(37-33)32(25(7)38-40)36-30-19-16-26(22-24(30)6)39(11-4)12-5;1-8-32(14-15-35-7)22-12-13-24(18(3)16-22)29-26-21(6)31-33-27(26)30-25(20(5)28(33)34)23-11-9-10-17(2)19(23)4/h16-19,22-23H,8-15,20-21H2,1-7H3;9-13,16H,8,14-15H2,1-7H3/b36-32+;29-26+.

What are the key properties of 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one?

5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 1057.40 g/mol, XLogP of 12.71, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91315935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).