2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H20N4O — CID 4972059

IUPAC2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1cn2nc(C)c(-c3ccccc3)c2nc1C
InChIInChI=1S/C22H20N4O/c1-14-9-7-8-12-19(14)24-22(27)18-13-26-21(23-15(18)2)20(16(3)25-26)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,24,27)
InChIKeyCZBYFVFRMQYEGL-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.57
Rot. Bonds3

About 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4972059) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4972059
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccccc1NC(=O)c1cn2nc(C)c(-c3ccccc3)c2nc1C
InChIInChI=1S/C22H20N4O/c1-14-9-7-8-12-19(14)24-22(27)18-13-26-21(23-15(18)2)20(16(3)25-26)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,24,27)
InChIKeyCZBYFVFRMQYEGL-UHFFFAOYSA-N
XLogP4.57
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4974601
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704641
N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
2-methyl-N-(2-methylphenyl)-1,6-naphthyridine-3-carboxamide
CID 110856628
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
N-(2-imidazol-1-ylphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55597500
N-(2-methylphenyl)-2-phenyl-1,8-naphthyridine-3-carboxamide
CID 10854569

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 4972059) is 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1ccccc1NC(=O)c1cn2nc(C)c(-c3ccccc3)c2nc1C.
What is the InChIKey of 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CZBYFVFRMQYEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-9-7-8-12-19(14)24-22(27)18-13-26-21(23-15(18)2)20(16(3)25-26)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,24,27).
What are the key properties of 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4972059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).