7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H24N4O2 — CID 135546935

IUPAC7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1
InChIInChI=1S/C27H24N4O2/c1-18-8-10-19(11-9-18)24-16-25(20-12-14-22(33-2)15-13-20)31-26(30-24)23(17-28-31)27(32)29-21-6-4-3-5-7-21/h3-17,25,30H,1-2H3,(H,29,32)
InChIKeyFSSOXNJUWLJOGO-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.51
Rot. Bonds5

About 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135546935) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135546935
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1
InChIInChI=1S/C27H24N4O2/c1-18-8-10-19(11-9-18)24-16-25(20-12-14-22(33-2)15-13-20)31-26(30-24)23(17-28-31)27(32)29-21-6-4-3-5-7-21/h3-17,25,30H,1-2H3,(H,29,32)
InChIKeyFSSOXNJUWLJOGO-UHFFFAOYSA-N
XLogP5.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135546935) is 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C2C=C(c3ccc(C)cc3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FSSOXNJUWLJOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-18-8-10-19(11-9-18)24-16-25(20-12-14-22(33-2)15-13-20)31-26(30-24)23(17-28-31)27(32)29-21-6-4-3-5-7-21/h3-17,25,30H,1-2H3,(H,29,32).
What are the key properties of 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135546935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).