7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C14H11FN4O2 — CID 95909644

IUPAC7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(-c2ccc(F)cc2)nn2c(N)c(C(=O)O)cnc12
InChIInChI=1S/C14H11FN4O2/c1-7-11(8-2-4-9(15)5-3-8)18-19-12(16)10(14(20)21)6-17-13(7)19/h2-6H,16H2,1H3,(H,20,21)
InChIKeyAZWYKBIUKYGSCW-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.12
Rot. Bonds2

About 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 95909644) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID95909644
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(-c2ccc(F)cc2)nn2c(N)c(C(=O)O)cnc12
InChIInChI=1S/C14H11FN4O2/c1-7-11(8-2-4-9(15)5-3-8)18-19-12(16)10(14(20)21)6-17-13(7)19/h2-6H,16H2,1H3,(H,20,21)
InChIKeyAZWYKBIUKYGSCW-UHFFFAOYSA-N
XLogP2.12
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 649053
7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
CU-CPT-8m
CID 15042086
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
2-(4-Chlorophenyl)-7-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5308312
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
1-(7-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 641891
1-(7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 708078
Ethyl 5-amino-1-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 1988334
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 804063

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 95909644) is 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1c(-c2ccc(F)cc2)nn2c(N)c(C(=O)O)cnc12.
What is the InChIKey of 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is AZWYKBIUKYGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-7-11(8-2-4-9(15)5-3-8)18-19-12(16)10(14(20)21)6-17-13(7)19/h2-6H,16H2,1H3,(H,20,21).
What are the key properties of 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 286.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 95909644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).