2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C22H19ClN4O3 — CID 42877668

IUPAC2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C22H19ClN4O3/c1-3-30-26-22(28)20-12-18(14-6-10-17(29-2)11-7-14)24-21-13-19(25-27(20)21)15-4-8-16(23)9-5-15/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeyVYAAPVDMFMPKCR-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.41
Rot. Bonds6

About 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 42877668) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID42877668
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCONC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C22H19ClN4O3/c1-3-30-26-22(28)20-12-18(14-6-10-17(29-2)11-7-14)24-21-13-19(25-27(20)21)15-4-8-16(23)9-5-15/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeyVYAAPVDMFMPKCR-UHFFFAOYSA-N
XLogP4.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080284
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877528
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877537
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914
[2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 46080290
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916311
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877550
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 42877668) is 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CCONC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is VYAAPVDMFMPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-3-30-26-22(28)20-12-18(14-6-10-17(29-2)11-7-14)24-21-13-19(25-27(20)21)15-4-8-16(23)9-5-15/h4-13H,3H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 42877668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).