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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67775229
CID 67775229
CID 4775471
CID 4775471
CID 165415004
CID 165415004
CID 3245944
CID 3245944
CID 118233429
CID 118233429
CID 25248734
CID 25248734
CID 84150130
CID 84150130
CID 53040817
CID 53040817
CID 53040820
CID 53040820
CID 168281677
CID 168281677
CID 168297807
CID 168297807
CID 178317197
CID 178317197

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).