3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C15H12ClN3O2 — CID 45496385

IUPAC3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nn2c(C)c(C(=O)O)cnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2/c1-8-13(10-3-5-11(16)6-4-10)14-17-7-12(15(20)21)9(2)19(14)18-8/h3-7H,1-2H3,(H,20,21)
InChIKeyBWGMKVMPUOOXNX-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.36
Rot. Bonds2

About 3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 45496385) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID45496385
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nn2c(C)c(C(=O)O)cnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2/c1-8-13(10-3-5-11(16)6-4-10)14-17-7-12(15(20)21)9(2)19(14)18-8/h3-7H,1-2H3,(H,20,21)
InChIKeyBWGMKVMPUOOXNX-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

3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 16653171
2,7-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496387
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
1-[3-(4-chlorophenyl)-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 21379629
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 126142439
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 50790806
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790751
propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228372
3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 3160991
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 20943370

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 45496385) is 3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nn2c(C)c(C(=O)O)cnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is BWGMKVMPUOOXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8-13(10-3-5-11(16)6-4-10)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-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-(4-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-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 45496385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).