2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C18H19N3O2 — CID 53213480

IUPAC2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cccc(-c2c(C)nn3c(C(C)C)c(C(=O)O)cnc23)c1
InChIInChI=1S/C18H19N3O2/c1-10(2)16-14(18(22)23)9-19-17-15(12(4)20-21(16)17)13-7-5-6-11(3)8-13/h5-10H,1-4H3,(H,22,23)
InChIKeyDJQFCXHOAIRFBE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 53213480) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID53213480
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cccc(-c2c(C)nn3c(C(C)C)c(C(=O)O)cnc23)c1
InChIInChI=1S/C18H19N3O2/c1-10(2)16-14(18(22)23)9-19-17-15(12(4)20-21(16)17)13-7-5-6-11(3)8-13/h5-10H,1-4H3,(H,22,23)
InChIKeyDJQFCXHOAIRFBE-UHFFFAOYSA-N
XLogP3.83
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 53213480) is 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1cccc(-c2c(C)nn3c(C(C)C)c(C(=O)O)cnc23)c1.
What is the InChIKey of 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is DJQFCXHOAIRFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-10(2)16-14(18(22)23)9-19-17-15(12(4)20-21(16)17)13-7-5-6-11(3)8-13/h5-10H,1-4H3,(H,22,23).
What are the key properties of 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 53213480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).