3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide

C21H18N4O2 — CID 56573902

IUPAC3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
SMILESCc1cccc(COc2cccc(C(=O)Nc3ccnc4ccnn34)c2)c1
InChIInChI=1S/C21H18N4O2/c1-15-4-2-5-16(12-15)14-27-18-7-3-6-17(13-18)21(26)24-20-8-10-22-19-9-11-23-25(19)20/h2-13H,14H2,1H3,(H,24,26)
InChIKeyHMWBDLKEADQXLT-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.87
Rot. Bonds5

About 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide

3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide (PubChem CID 56573902) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
PubChem CID56573902
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
SMILESCc1cccc(COc2cccc(C(=O)Nc3ccnc4ccnn34)c2)c1
InChIInChI=1S/C21H18N4O2/c1-15-4-2-5-16(12-15)14-27-18-7-3-6-17(13-18)21(26)24-20-8-10-22-19-9-11-23-25(19)20/h2-13H,14H2,1H3,(H,24,26)
InChIKeyHMWBDLKEADQXLT-UHFFFAOYSA-N
XLogP3.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-[(3-methylphenyl)methoxy]benzamide
CID 52554971
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 38735897
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 56506117
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676963

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide?
The IUPAC name of 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide (CID 56573902) is 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide is Cc1cccc(COc2cccc(C(=O)Nc3ccnc4ccnn34)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide?
The InChIKey is HMWBDLKEADQXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15-4-2-5-16(12-15)14-27-18-7-3-6-17(13-18)21(26)24-20-8-10-22-19-9-11-23-25(19)20/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide?
3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide is sourced from PubChem (CID 56573902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).