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

C15H10F2N4O3 — CID 59463065

IUPAC3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(NCc1ccc(F)cc1)c1cc(C(=O)O)n2ncc(F)c2n1
InChIInChI=1S/C15H10F2N4O3/c16-9-3-1-8(2-4-9)6-18-14(22)11-5-12(15(23)24)21-13(20-11)10(17)7-19-21/h1-5,7H,6H2,(H,18,22)(H,23,24)
InChIKeyCDVBJCJDJAUAQU-UHFFFAOYSA-N
MW332.27 g/mol
LogP1.64
Rot. Bonds4

About 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 59463065) has the molecular formula C15H10F2N4O3 and a molecular weight of 332.27 g/mol. Its IUPAC name is 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID59463065
Molecular FormulaC15H10F2N4O3
Molecular Weight332.27 g/mol
Exact Mass332.07
IUPAC Name3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(NCc1ccc(F)cc1)c1cc(C(=O)O)n2ncc(F)c2n1
InChIInChI=1S/C15H10F2N4O3/c16-9-3-1-8(2-4-9)6-18-14(22)11-5-12(15(23)24)21-13(20-11)10(17)7-19-21/h1-5,7H,6H2,(H,18,22)(H,23,24)
InChIKeyCDVBJCJDJAUAQU-UHFFFAOYSA-N
XLogP1.64
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 59463065) is 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(NCc1ccc(F)cc1)c1cc(C(=O)O)n2ncc(F)c2n1.
What is the InChIKey of 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is CDVBJCJDJAUAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O3/c16-9-3-1-8(2-4-9)6-18-14(22)11-5-12(15(23)24)21-13(20-11)10(17)7-19-21/h1-5,7H,6H2,(H,18,22)(H,23,24).
What are the key properties of 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 332.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 59463065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).