7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C15H13N3O2 — CID 82092183

IUPAC7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2cc3nc(C(=O)O)cc(C)n3n2)cc1
InChIInChI=1S/C15H13N3O2/c1-9-3-5-11(6-4-9)12-8-14-16-13(15(19)20)7-10(2)18(14)17-12/h3-8H,1-2H3,(H,19,20)
InChIKeyZKBWADSOFRFKIE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds2

About 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82092183) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82092183
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2cc3nc(C(=O)O)cc(C)n3n2)cc1
InChIInChI=1S/C15H13N3O2/c1-9-3-5-11(6-4-9)12-8-14-16-13(15(19)20)7-10(2)18(14)17-12/h3-8H,1-2H3,(H,19,20)
InChIKeyZKBWADSOFRFKIE-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

7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82078907
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716804
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
CID 125488527
N-[2-(dimethylamino)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716905
(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone
CID 139400783
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079602
7-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170354
7-methyl-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877265

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82092183) is 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1ccc(-c2cc3nc(C(=O)O)cc(C)n3n2)cc1.
What is the InChIKey of 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ZKBWADSOFRFKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-3-5-11(6-4-9)12-8-14-16-13(15(19)20)7-10(2)18(14)17-12/h3-8H,1-2H3,(H,19,20).
What are the key properties of 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-methyl-2-(4-methylphenyl)pyrazolo[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 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82092183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).