N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C17H18N4O3 — CID 84575522

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc3cc(C)nn23)cc1
InChIInChI=1S/C17H18N4O3/c1-12-11-16-18-8-7-15(21(16)20-12)17(22)19-9-10-24-14-5-3-13(23-2)4-6-14/h3-8,11H,9-10H2,1-2H3,(H,19,22)
InChIKeyUQQZLQFORKPACW-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 84575522) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID84575522
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccnc3cc(C)nn23)cc1
InChIInChI=1S/C17H18N4O3/c1-12-11-16-18-8-7-15(21(16)20-12)17(22)19-9-10-24-14-5-3-13(23-2)4-6-14/h3-8,11H,9-10H2,1-2H3,(H,19,22)
InChIKeyUQQZLQFORKPACW-UHFFFAOYSA-N
XLogP1.86
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575518
N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84580925
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575392
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691288
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
N-(2,4-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575460
N-[2-(4-methoxyphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881598
2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174915

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 84575522) is N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(OCCNC(=O)c2ccnc3cc(C)nn23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is UQQZLQFORKPACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12-11-16-18-8-7-15(21(16)20-12)17(22)19-9-10-24-14-5-3-13(23-2)4-6-14/h3-8,11H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 84575522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).