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

C15H11FN4O3 — CID 143344889

IUPAC5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(NCc1ccc(F)cc1)c1cc(C(=O)O)n2nccc2n1
InChIInChI=1S/C15H11FN4O3/c16-10-3-1-9(2-4-10)8-17-14(21)11-7-12(15(22)23)20-13(19-11)5-6-18-20/h1-7H,8H2,(H,17,21)(H,22,23)
InChIKeyKLXGMJKPAHBEBP-UHFFFAOYSA-N
MW314.28 g/mol
LogP1.50
Rot. Bonds4

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

5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 143344889) has the molecular formula C15H11FN4O3 and a molecular weight of 314.28 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID143344889
Molecular FormulaC15H11FN4O3
Molecular Weight314.28 g/mol
Exact Mass314.08
IUPAC Name5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(NCc1ccc(F)cc1)c1cc(C(=O)O)n2nccc2n1
InChIInChI=1S/C15H11FN4O3/c16-10-3-1-9(2-4-10)8-17-14(21)11-7-12(15(22)23)20-13(19-11)5-6-18-20/h1-7H,8H2,(H,17,21)(H,22,23)
InChIKeyKLXGMJKPAHBEBP-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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Related Compounds

5-(2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775229
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(4-methylpyrazol-1-yl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
CID 67459575
2-[(2-Phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid
CID 165415004
2-[(2-Fluorophenyl)methyl]-5-[5-fluoro-4-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino]pyrimidin-2-yl]pyrazole-3-carboxylic acid
CID 118233429
5-(4-Fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 847248
3-Chloro-5-phenylpyrazolo(1,5-a)pyrimidine-7-carboxylic acid
CID 25247724
7-Phenylpyrazolo(1,5-a)pyrimidine-5-carboxylic acid
CID 84150130
7-ethyl-N~5~-(4-fluorobenzyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040817
7-Ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040820
7-Tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040929
7-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040960

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 143344889) is 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(NCc1ccc(F)cc1)c1cc(C(=O)O)n2nccc2n1.
What is the InChIKey of 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is KLXGMJKPAHBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3/c16-10-3-1-9(2-4-10)8-17-14(21)11-7-12(15(22)23)20-13(19-11)5-6-18-20/h1-7H,8H2,(H,17,21)(H,22,23).
What are the key properties of 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-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 5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 143344889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).