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

C20H15BrN4O — CID 67082901

IUPAC4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(Br)cc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C20H15BrN4O/c1-13-11-19-22-18(23-20(26)15-7-9-16(21)10-8-15)12-17(25(19)24-13)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,26)
InChIKeyWNBLROZQBVFIST-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.72
Rot. Bonds3

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

4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (PubChem CID 67082901) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
PubChem CID67082901
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC Name4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(Br)cc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C20H15BrN4O/c1-13-11-19-22-18(23-20(26)15-7-9-16(21)10-8-15)12-17(25(19)24-13)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,26)
InChIKeyWNBLROZQBVFIST-UHFFFAOYSA-N
XLogP4.72
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 51348183
4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 75628494
2-[[2-methyl-2-[4-[(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)carbamoyl]phenyl]propyl]amino]-2-oxoacetic acid
CID 67064797
4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 75628651
5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide
CID 51348474
trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 67064043
N-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 66878496
7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84609302
N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064650
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 5330996
4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 35761193
ethane;N-methyl-4-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
CID 143251437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (CID 67082901) is 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is Cc1cc2nc(NC(=O)c3ccc(Br)cc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The InChIKey is WNBLROZQBVFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O/c1-13-11-19-22-18(23-20(26)15-7-9-16(21)10-8-15)12-17(25(19)24-13)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,26).
What are the key properties of 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide has a molecular weight of 407.27 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 67082901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).