N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide

C25H24N4O2 — CID 67064585

IUPACN-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)n3nc(C4CC4)cc3n2)cc1
InChIInChI=1S/C25H24N4O2/c1-25(2,31)19-12-10-18(11-13-19)24(30)27-22-15-21(17-6-4-3-5-7-17)29-23(26-22)14-20(28-29)16-8-9-16/h3-7,10-16,31H,8-9H2,1-2H3,(H,26,27,30)
InChIKeyBQGFLIBCWVBNJC-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.75
Rot. Bonds5

About N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide

N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 67064585) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide
PubChem CID67064585
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)n3nc(C4CC4)cc3n2)cc1
InChIInChI=1S/C25H24N4O2/c1-25(2,31)19-12-10-18(11-13-19)24(30)27-22-15-21(17-6-4-3-5-7-17)29-23(26-22)14-20(28-29)16-8-9-16/h3-7,10-16,31H,8-9H2,1-2H3,(H,26,27,30)
InChIKeyBQGFLIBCWVBNJC-UHFFFAOYSA-N
XLogP4.75
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide (CID 67064585) is N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide is CC(C)(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)n3nc(C4CC4)cc3n2)cc1.
What is the InChIKey of N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is BQGFLIBCWVBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-25(2,31)19-12-10-18(11-13-19)24(30)27-22-15-21(17-6-4-3-5-7-17)29-23(26-22)14-20(28-29)16-8-9-16/h3-7,10-16,31H,8-9H2,1-2H3,(H,26,27,30).
What are the key properties of N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide?
N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 67064585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).