7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C15H11FN4O3 — CID 59461660

IUPAC7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)NCc2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C15H11FN4O3/c16-10-3-1-9(2-4-10)8-17-14(21)12-7-11(15(22)23)19-13-5-6-18-20(12)13/h1-7H,8H2,(H,17,21)(H,22,23)
InChIKeyKZWOGWHDVZVLLM-UHFFFAOYSA-N
MW314.28 g/mol
LogP1.50
Rot. Bonds4

About 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 59461660) has the molecular formula C15H11FN4O3 and a molecular weight of 314.28 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID59461660
Molecular FormulaC15H11FN4O3
Molecular Weight314.28 g/mol
Exact Mass314.08
IUPAC Name7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)NCc2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C15H11FN4O3/c16-10-3-1-9(2-4-10)8-17-14(21)12-7-11(15(22)23)19-13-5-6-18-20(12)13/h1-7H,8H2,(H,17,21)(H,22,23)
InChIKeyKZWOGWHDVZVLLM-UHFFFAOYSA-N
XLogP1.50
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 59461660) is 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(C(=O)NCc2ccc(F)cc2)n2nccc2n1.
What is the InChIKey of 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is KZWOGWHDVZVLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3/c16-10-3-1-9(2-4-10)8-17-14(21)12-7-11(15(22)23)19-13-5-6-18-20(12)13/h1-7H,8H2,(H,17,21)(H,22,23).
What are the key properties of 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 314.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 59461660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).