7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H9FN4O — CID 14501865

IUPAC7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(-c3cccc(F)c3)ccnc12
InChIInChI=1S/C13H9FN4O/c14-9-3-1-2-8(6-9)11-4-5-16-13-10(12(15)19)7-17-18(11)13/h1-7H,(H2,15,19)
InChIKeyUSSBIISGURSWEX-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.63
Rot. Bonds2

About 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 14501865) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID14501865
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(-c3cccc(F)c3)ccnc12
InChIInChI=1S/C13H9FN4O/c14-9-3-1-2-8(6-9)11-4-5-16-13-10(12(15)19)7-17-18(11)13/h1-7H,(H2,15,19)
InChIKeyUSSBIISGURSWEX-UHFFFAOYSA-N
XLogP1.63
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 14501865) is 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c(-c3cccc(F)c3)ccnc12.
What is the InChIKey of 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is USSBIISGURSWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-9-3-1-2-8(6-9)11-4-5-16-13-10(12(15)19)7-17-18(11)13/h1-7H,(H2,15,19).
What are the key properties of 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 256.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 14501865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).