2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C15H13N3O2 — CID 7061944

IUPAC2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nn2c(C)cc(C(=O)O)nc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)16-14-13(10(2)17-18(9)14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
InChIKeyFAMCLLZNSYFZQT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds2

About 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 7061944) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID7061944
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nn2c(C)cc(C(=O)O)nc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)16-14-13(10(2)17-18(9)14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
InChIKeyFAMCLLZNSYFZQT-UHFFFAOYSA-N
XLogP2.71
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
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
Ethyl (2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 686632
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
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
1,6-diisopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2466731

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 7061944) is 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1nn2c(C)cc(C(=O)O)nc2c1-c1ccccc1.
What is the InChIKey of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is FAMCLLZNSYFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)16-14-13(10(2)17-18(9)14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 7061944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).