methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C20H14ClN3O2 — CID 29091283

IUPACmethyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C20H14ClN3O2/c1-26-20(25)18-11-17(14-7-9-15(21)10-8-14)23-19-16(12-22-24(18)19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyZLBZDZHMFWKSPX-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.50
Rot. Bonds3

About methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 29091283) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID29091283
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Namemethyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C20H14ClN3O2/c1-26-20(25)18-11-17(14-7-9-15(21)10-8-14)23-19-16(12-22-24(18)19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyZLBZDZHMFWKSPX-UHFFFAOYSA-N
XLogP4.50
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid
CID 10250987
Ethyl 3-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754762
Ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2088731
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
Ethyl 3-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-A]pyrimidin-6-YL]propanamido}benzoate
CID 16008410
6-(3-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600116
6-(4-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600117
6-(6-Chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600939
Ethyl [3-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 754737
1-benzyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16227654
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 29091283) is methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is ZLBZDZHMFWKSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-26-20(25)18-11-17(14-7-9-15(21)10-8-14)23-19-16(12-22-24(18)19)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 363.80 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 29091283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).