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

C21H16ClFN4O2 — CID 167400875

IUPAC7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3nccc(-c4ccc(Cl)cc4F)n3n2)cc1
InChIInChI=1S/C21H16ClFN4O2/c1-2-29-15-6-4-14(5-7-15)25-21(28)18-12-20-24-10-9-19(27(20)26-18)16-8-3-13(22)11-17(16)23/h3-12H,2H2,1H3,(H,25,28)
InChIKeyAFLSZNJKCRMZQV-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.84
Rot. Bonds5

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

7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 167400875) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID167400875
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3nccc(-c4ccc(Cl)cc4F)n3n2)cc1
InChIInChI=1S/C21H16ClFN4O2/c1-2-29-15-6-4-14(5-7-15)25-21(28)18-12-20-24-10-9-19(27(20)26-18)16-8-3-13(22)11-17(16)23/h3-12H,2H2,1H3,(H,25,28)
InChIKeyAFLSZNJKCRMZQV-UHFFFAOYSA-N
XLogP4.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 167400875) is 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc(NC(=O)c2cc3nccc(-c4ccc(Cl)cc4F)n3n2)cc1.
What is the InChIKey of 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AFLSZNJKCRMZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c1-2-29-15-6-4-14(5-7-15)25-21(28)18-12-20-24-10-9-19(27(20)26-18)16-8-3-13(22)11-17(16)23/h3-12H,2H2,1H3,(H,25,28).
What are the key properties of 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 410.84 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 167400875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).