5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C20H15ClN4O2 — CID 11740420

IUPAC5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCN(c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C20H15ClN4O2/c1-24(15-5-3-2-4-6-15)19-12-16(13-7-9-14(21)10-8-13)22-18-11-17(20(26)27)23-25(18)19/h2-12H,1H3,(H,26,27)
InChIKeyHTROJYPTTJPVBL-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.52
Rot. Bonds4

About 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 11740420) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID11740420
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCN(c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C20H15ClN4O2/c1-24(15-5-3-2-4-6-15)19-12-16(13-7-9-14(21)10-8-13)22-18-11-17(20(26)27)23-25(18)19/h2-12H,1H3,(H,26,27)
InChIKeyHTROJYPTTJPVBL-UHFFFAOYSA-N
XLogP4.52
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 11740420) is 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CN(c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)O)nn12.
What is the InChIKey of 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is HTROJYPTTJPVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-24(15-5-3-2-4-6-15)19-12-16(13-7-9-14(21)10-8-13)22-18-11-17(20(26)27)23-25(18)19/h2-12H,1H3,(H,26,27).
What are the key properties of 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 378.82 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 11740420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).