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

C14H10FN3O2 — CID 131986798

IUPAC5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(-c2ccc(F)cc2)nc2c(C(=O)O)cnn12
InChIInChI=1S/C14H10FN3O2/c1-8-6-12(9-2-4-10(15)5-3-9)17-13-11(14(19)20)7-16-18(8)13/h2-7H,1H3,(H,19,20)
InChIKeyUCJKJWMLISYEQX-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.54
Rot. Bonds2

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

5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 131986798) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID131986798
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(-c2ccc(F)cc2)nc2c(C(=O)O)cnn12
InChIInChI=1S/C14H10FN3O2/c1-8-6-12(9-2-4-10(15)5-3-9)17-13-11(14(19)20)7-16-18(8)13/h2-7H,1H3,(H,19,20)
InChIKeyUCJKJWMLISYEQX-UHFFFAOYSA-N
XLogP2.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 53212228
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
azepan-1-yl-[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4772783
N-[(Z)-(3-fluorophenyl)methylideneamino]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5432280
7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915
ethyl 7-methyl-5-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986760
1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247485
7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459988
2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid
CID 131988328
7-(difluoromethyl)-5-(4-fluorophenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459854

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 131986798) is 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1cc(-c2ccc(F)cc2)nc2c(C(=O)O)cnn12.
What is the InChIKey of 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is UCJKJWMLISYEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-8-6-12(9-2-4-10(15)5-3-9)17-13-11(14(19)20)7-16-18(8)13/h2-7H,1H3,(H,19,20).
What are the key properties of 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 131986798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).