3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C15H12ClN3O2 — CID 16653171

IUPAC3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nn2c(C)c(C(=O)O)cnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O2/c1-8-13(10-4-3-5-11(16)6-10)14-17-7-12(15(20)21)9(2)19(14)18-8/h3-7H,1-2H3,(H,20,21)
InChIKeyKGQWCTTVAVRLFJ-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.36
Rot. Bonds2

About 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 16653171) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID16653171
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nn2c(C)c(C(=O)O)cnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O2/c1-8-13(10-4-3-5-11(16)6-10)14-17-7-12(15(20)21)9(2)19(14)18-8/h3-7H,1-2H3,(H,20,21)
InChIKeyKGQWCTTVAVRLFJ-UHFFFAOYSA-N
XLogP3.36
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 16653171) is 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nn2c(C)c(C(=O)O)cnc2c1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is KGQWCTTVAVRLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8-13(10-4-3-5-11(16)6-10)14-17-7-12(15(20)21)9(2)19(14)18-8/h3-7H,1-2H3,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 301.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 16653171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).