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

C15H12ClN3O2 — CID 44822384

IUPAC6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C(=O)O)c1Cl
InChIInChI=1S/C15H12ClN3O2/c1-8-11(10-6-4-3-5-7-10)14-17-9(2)12(16)13(15(20)21)19(14)18-8/h3-7H,1-2H3,(H,20,21)
InChIKeyGBJAJCOSYOTCHQ-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.36
Rot. Bonds2

About 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 44822384) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID44822384
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C(=O)O)c1Cl
InChIInChI=1S/C15H12ClN3O2/c1-8-11(10-6-4-3-5-7-10)14-17-9(2)12(16)13(15(20)21)19(14)18-8/h3-7H,1-2H3,(H,20,21)
InChIKeyGBJAJCOSYOTCHQ-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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Related Compounds

1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid
CID 141001805
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603853
ethyl 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877153
[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 4900052
1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 158588228
methyl 5-(2,4-dichlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916128
4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 102128230
5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916230
2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 4585397
6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 2035725
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 44822384) is 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1nc2c(-c3ccccc3)c(C)nn2c(C(=O)O)c1Cl.
What is the InChIKey of 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is GBJAJCOSYOTCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8-11(10-6-4-3-5-7-10)14-17-9(2)12(16)13(15(20)21)19(14)18-8/h3-7H,1-2H3,(H,20,21).
What are the key properties of 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-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 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 44822384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).