5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C19H11Cl2N3O2 — CID 15957603

IUPAC5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3Cl)cc(-c3ccccc3Cl)n2n1
InChIInChI=1S/C19H11Cl2N3O2/c20-13-7-3-1-5-11(13)15-9-17(12-6-2-4-8-14(12)21)24-18(22-15)10-16(23-24)19(25)26/h1-10H,(H,25,26)
InChIKeyQWCNGOHAQVOVBC-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.07
Rot. Bonds3

About 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957603) has the molecular formula C19H11Cl2N3O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957603
Molecular FormulaC19H11Cl2N3O2
Molecular Weight384.22 g/mol
Exact Mass383.02
IUPAC Name5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3Cl)cc(-c3ccccc3Cl)n2n1
InChIInChI=1S/C19H11Cl2N3O2/c20-13-7-3-1-5-11(13)15-9-17(12-6-2-4-8-14(12)21)24-18(22-15)10-16(23-24)19(25)26/h1-10H,(H,25,26)
InChIKeyQWCNGOHAQVOVBC-UHFFFAOYSA-N
XLogP5.07
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-Diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771943
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
1-(4-Chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 129147662
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
7-(Trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxylic acid
CID 781446
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816
7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 776256
2,7-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 7061944
Ethyl 3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1938662
3-Bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 807578
3-Butan-2-yl-1-(4-chlorophenyl)-6-cyclopropylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 155510528

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957603) is 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccccc3Cl)cc(-c3ccccc3Cl)n2n1.
What is the InChIKey of 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is QWCNGOHAQVOVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2/c20-13-7-3-1-5-11(13)15-9-17(12-6-2-4-8-14(12)21)24-18(22-15)10-16(23-24)19(25)26/h1-10H,(H,25,26).
What are the key properties of 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 384.22 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).