7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C26H18FN3O3 — CID 15957903

IUPAC7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(OCc4ccccc4)cc3)cc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C26H18FN3O3/c27-20-8-4-7-19(13-20)24-14-22(28-25-15-23(26(31)32)29-30(24)25)18-9-11-21(12-10-18)33-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,31,32)
InChIKeyJCPIRTLUKKIPSZ-UHFFFAOYSA-N
MW439.45 g/mol
LogP5.48
Rot. Bonds6

About 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957903) has the molecular formula C26H18FN3O3 and a molecular weight of 439.45 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957903
Molecular FormulaC26H18FN3O3
Molecular Weight439.45 g/mol
Exact Mass439.13
IUPAC Name7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(OCc4ccccc4)cc3)cc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C26H18FN3O3/c27-20-8-4-7-19(13-20)24-14-22(28-25-15-23(26(31)32)29-30(24)25)18-9-11-21(12-10-18)33-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,31,32)
InChIKeyJCPIRTLUKKIPSZ-UHFFFAOYSA-N
XLogP5.48
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957659
7-[3-chloro-4-(iodomethoxy)phenyl]-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 143439530
5-(4-chlorophenyl)-7-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957588
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585
7-(4-cyclopropylphenyl)-5-(2-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 143439433
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
5-(2-chlorophenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957891
N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1097403
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
5-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4771477
5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 141118128
N-hydroxy-6-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 87562744

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957903) is 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(OCc4ccccc4)cc3)cc(-c3cccc(F)c3)n2n1.
What is the InChIKey of 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is JCPIRTLUKKIPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O3/c27-20-8-4-7-19(13-20)24-14-22(28-25-15-23(26(31)32)29-30(24)25)18-9-11-21(12-10-18)33-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,31,32).
What are the key properties of 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 439.45 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).