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

C20H15N3O2 — CID 170092111

IUPAC3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1c(C(=O)O)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H15N3O2/c1-13-18(20(24)25)22-23-17(15-10-6-3-7-11-15)12-16(21-19(13)23)14-8-4-2-5-9-14/h2-12H,1H3,(H,24,25)
InChIKeyKOCRFKXBQKQLAU-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.07
Rot. Bonds3

About 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 170092111) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID170092111
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1c(C(=O)O)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H15N3O2/c1-13-18(20(24)25)22-23-17(15-10-6-3-7-11-15)12-16(21-19(13)23)14-8-4-2-5-9-14/h2-12H,1H3,(H,24,25)
InChIKeyKOCRFKXBQKQLAU-UHFFFAOYSA-N
XLogP4.07
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771943
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 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 170092111) is 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1c(C(=O)O)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is KOCRFKXBQKQLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-18(20(24)25)22-23-17(15-10-6-3-7-11-15)12-16(21-19(13)23)14-8-4-2-5-9-14/h2-12H,1H3,(H,24,25).
What are the key properties of 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 170092111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).