5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C26H22N4O2 — CID 1219508

IUPAC5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc5ccccc45)cc3n2)cc1
InChIInChI=1S/C26H22N4O2/c1-3-32-20-13-11-19(12-14-20)23-15-17(2)30-25(27-23)16-24(29-30)26(31)28-22-10-6-8-18-7-4-5-9-21(18)22/h4-16H,3H2,1-2H3,(H,28,31)
InChIKeyMVJISSBIONZDRR-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.51
Rot. Bonds5

About 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1219508) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1219508
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc5ccccc45)cc3n2)cc1
InChIInChI=1S/C26H22N4O2/c1-3-32-20-13-11-19(12-14-20)23-15-17(2)30-25(27-23)16-24(29-30)26(31)28-22-10-6-8-18-7-4-5-9-21(18)22/h4-16H,3H2,1-2H3,(H,28,31)
InChIKeyMVJISSBIONZDRR-UHFFFAOYSA-N
XLogP5.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3628970
N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1219372
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103627
N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3991557
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
CID 100504250
3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide
CID 12848006
N-(2-chloro-3-pyridinyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1110998
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
methyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759675
6-(4-ethoxyphenyl)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 52947201

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1219508) is 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc5ccccc45)cc3n2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MVJISSBIONZDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-3-32-20-13-11-19(12-14-20)23-15-17(2)30-25(27-23)16-24(29-30)26(31)28-22-10-6-8-18-7-4-5-9-21(18)22/h4-16H,3H2,1-2H3,(H,28,31).
What are the key properties of 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1219508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).