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

C25H19BrN4O — CID 135902891

IUPAC5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2c1NC(c1ccc(Br)cc1)=CC2c1ccccc1
InChIInChI=1S/C25H19BrN4O/c26-19-13-11-17(12-14-19)22-15-23(18-7-3-1-4-8-18)30-24(29-22)21(16-27-30)25(31)28-20-9-5-2-6-10-20/h1-16,23,29H,(H,28,31)
InChIKeyBMAVXUOEQLZQOV-UHFFFAOYSA-N
MW471.36 g/mol
LogP5.95
Rot. Bonds4

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

5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135902891) has the molecular formula C25H19BrN4O and a molecular weight of 471.36 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135902891
Molecular FormulaC25H19BrN4O
Molecular Weight471.36 g/mol
Exact Mass470.07
IUPAC Name5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2c1NC(c1ccc(Br)cc1)=CC2c1ccccc1
InChIInChI=1S/C25H19BrN4O/c26-19-13-11-17(12-14-19)22-15-23(18-7-3-1-4-8-18)30-24(29-22)21(16-27-30)25(31)28-20-9-5-2-6-10-20/h1-16,23,29H,(H,28,31)
InChIKeyBMAVXUOEQLZQOV-UHFFFAOYSA-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 5-(4-bromophenyl)-N,7-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

(7R)-7-(4-bromophenyl)-N,5-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791539
(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
5-(4-bromophenyl)-7-(2-fluorophenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135551176
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548726
(7R)-5-(3-methoxyphenyl)-N-(4-methylphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680193
(7S)-5-(4-bromophenyl)-N-(4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791580
7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135551178
7-(4-chlorophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135629516
(7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680211
5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548709
(7R)-7-(4-bromophenyl)-3-[(2-chlorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136856801

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135902891) is 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1)c1cnn2c1NC(c1ccc(Br)cc1)=CC2c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BMAVXUOEQLZQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN4O/c26-19-13-11-17(12-14-19)22-15-23(18-7-3-1-4-8-18)30-24(29-22)21(16-27-30)25(31)28-20-9-5-2-6-10-20/h1-16,23,29H,(H,28,31).
What are the key properties of 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-bromophenyl)-N,7-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 5-(4-bromophenyl)-N,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135902891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).