5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C19H13N3O2 — CID 771943

IUPAC5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C19H13N3O2/c23-19(24)16-12-18-20-15(13-7-3-1-4-8-13)11-17(22(18)21-16)14-9-5-2-6-10-14/h1-12H,(H,23,24)
InChIKeyMFCIBMPTHZCBFX-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.76
Rot. Bonds3

About 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 771943) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID771943
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C19H13N3O2/c23-19(24)16-12-18-20-15(13-7-3-1-4-8-13)11-17(22(18)21-16)14-9-5-2-6-10-14/h1-12H,(H,23,24)
InChIKeyMFCIBMPTHZCBFX-UHFFFAOYSA-N
XLogP3.76
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
1-(4-Chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 129147662
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
7-(Trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxylic acid
CID 781446
6-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-4-carboxylic acid
CID 15657977
3-phenyl-6-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018596
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
2-Methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-5-morpholinopyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 56927258
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 771943) is 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is MFCIBMPTHZCBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)16-12-18-20-15(13-7-3-1-4-8-13)11-17(22(18)21-16)14-9-5-2-6-10-14/h1-12H,(H,23,24).
What are the key properties of 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 771943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).