N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H19ClN4O3 — CID 1219372

IUPACN-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cc(Cl)ccc4O)cc3n2)cc1
InChIInChI=1S/C22H19ClN4O3/c1-3-30-16-7-4-14(5-8-16)17-10-13(2)27-21(24-17)12-19(26-27)22(29)25-18-11-15(23)6-9-20(18)28/h4-12,28H,3H2,1-2H3,(H,25,29)
InChIKeyZSYXQUSONFKBMY-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.71
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1219372) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1219372
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cc(Cl)ccc4O)cc3n2)cc1
InChIInChI=1S/C22H19ClN4O3/c1-3-30-16-7-4-14(5-8-16)17-10-13(2)27-21(24-17)12-19(26-27)22(29)25-18-11-15(23)6-9-20(18)28/h4-12,28H,3H2,1-2H3,(H,25,29)
InChIKeyZSYXQUSONFKBMY-UHFFFAOYSA-N
XLogP4.71
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1219508
5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3628970
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836090
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103627
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400875
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
methyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759675
N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269235
5-cyclopropyl-N-(4-ethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447376
N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271046
N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3991557

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1219372) is N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cc(Cl)ccc4O)cc3n2)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZSYXQUSONFKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-3-30-16-7-4-14(5-8-16)17-10-13(2)27-21(24-17)12-19(26-27)22(29)25-18-11-15(23)6-9-20(18)28/h4-12,28H,3H2,1-2H3,(H,25,29).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1219372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).