5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22N4O2 — CID 37400763

IUPAC5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCc3ccccc3COc3ccccc3)c2n1
InChIInChI=1S/C23H22N4O2/c1-16-12-17(2)27-22(26-16)21(14-25-27)23(28)24-13-18-8-6-7-9-19(18)15-29-20-10-4-3-5-11-20/h3-12,14H,13,15H2,1-2H3,(H,24,28)
InChIKeyFYILLZYDGDYICH-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.86
Rot. Bonds6

About 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 37400763) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID37400763
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCc3ccccc3COc3ccccc3)c2n1
InChIInChI=1S/C23H22N4O2/c1-16-12-17(2)27-22(26-16)21(14-25-27)23(28)24-13-18-8-6-7-9-19(18)15-29-20-10-4-3-5-11-20/h3-12,14H,13,15H2,1-2H3,(H,24,28)
InChIKeyFYILLZYDGDYICH-UHFFFAOYSA-N
XLogP3.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39977011
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440629
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239036
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
5,7-dimethyl-N-[2-[(5-methyl-3-pyridinyl)oxy]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155153499
5,7-dimethyl-N-[[2-methyl-4-(1,3-oxazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164780512
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171584
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327325
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
N-(2-amino-2-oxoethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112550550
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 103825011

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 37400763) is 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NCc3ccccc3COc3ccccc3)c2n1.
What is the InChIKey of 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FYILLZYDGDYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-12-17(2)27-22(26-16)21(14-25-27)23(28)24-13-18-8-6-7-9-19(18)15-29-20-10-4-3-5-11-20/h3-12,14H,13,15H2,1-2H3,(H,24,28).
What are the key properties of 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 37400763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).