2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C14H10ClN3O2 — CID 5308312

IUPAC2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)cnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C14H10ClN3O2/c1-8-11(14(19)20)7-16-13-6-12(17-18(8)13)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,19,20)
InChIKeyKTEJCXHMVKKPBM-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.06
Rot. Bonds2

About 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 5308312) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID5308312
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)cnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C14H10ClN3O2/c1-8-11(14(19)20)7-16-13-6-12(17-18(8)13)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,19,20)
InChIKeyKTEJCXHMVKKPBM-UHFFFAOYSA-N
XLogP3.06
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-Chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
CID 154659102
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
1-[2-(4-Chlorophenyl)-7-Methylpyrazolo[1,5-A]Pyrimidin-6-Yl]Ethan-1-One
CID 677918
1-(7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 708078
1-[3-(4-Chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 808166
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 804063
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
Ethyl 3-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754762
Ethyl 7-amino-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 879123

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 5308312) is 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)cnc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is KTEJCXHMVKKPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-8-11(14(19)20)7-16-13-6-12(17-18(8)13)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 287.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 5308312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).