(7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H19BrN4O — CID 136791539

IUPAC(7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2c1NC(c1ccccc1)=C[C@@H]2c1ccc(Br)cc1
InChIInChI=1S/C25H19BrN4O/c26-19-13-11-18(12-14-19)23-15-22(17-7-3-1-4-8-17)29-24-21(16-27-30(23)24)25(31)28-20-9-5-2-6-10-20/h1-16,23,29H,(H,28,31)/t23-/m1/s1
InChIKeyOCAJMHAITDVXGA-HSZRJFAPSA-N
MW471.36 g/mol
LogP5.95
Rot. Bonds4

About (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136791539) has the molecular formula C25H19BrN4O and a molecular weight of 471.36 g/mol. Its IUPAC name is (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136791539
Molecular FormulaC25H19BrN4O
Molecular Weight471.36 g/mol
Exact Mass470.07
IUPAC Name(7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2c1NC(c1ccccc1)=C[C@@H]2c1ccc(Br)cc1
InChIInChI=1S/C25H19BrN4O/c26-19-13-11-18(12-14-19)23-15-22(17-7-3-1-4-8-17)29-24-21(16-27-30(23)24)25(31)28-20-9-5-2-6-10-20/h1-16,23,29H,(H,28,31)/t23-/m1/s1
InChIKeyOCAJMHAITDVXGA-HSZRJFAPSA-N
XLogP5.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.36
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135902891
(7R)-7-(4-bromophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136856797
(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136888073
7-(4-chlorophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135629516
5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135551176
(7R)-7-(4-bromophenyl)-3-[(2-chlorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136856801
(7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680193
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548726
(7S)-5-(4-bromophenyl)-N-(4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791580
(7R)-5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136823934
(7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680211
(7R)-7-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721940

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136791539) is (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1)c1cnn2c1NC(c1ccccc1)=C[C@@H]2c1ccc(Br)cc1.
What is the InChIKey of (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OCAJMHAITDVXGA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H19BrN4O/c26-19-13-11-18(12-14-19)23-15-22(17-7-3-1-4-8-17)29-24-21(16-27-30(23)24)25(31)28-20-9-5-2-6-10-20/h1-16,23,29H,(H,28,31)/t23-/m1/s1.
What are the key properties of (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.36 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136791539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).