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

C16H12ClN3O2 — CID 44822341

IUPAC3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C16H12ClN3O2/c17-11-5-3-9(4-6-11)12-8-18-20-14(16(21)22)7-13(10-1-2-10)19-15(12)20/h3-8,10H,1-2H2,(H,21,22)
InChIKeyXVWYUAFIDZRDGQ-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.63
Rot. Bonds3

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

3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 44822341) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID44822341
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C16H12ClN3O2/c17-11-5-3-9(4-6-11)12-8-18-20-14(16(21)22)7-13(10-1-2-10)19-15(12)20/h3-8,10H,1-2H2,(H,21,22)
InChIKeyXVWYUAFIDZRDGQ-UHFFFAOYSA-N
XLogP3.63
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 44822341) is 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is XVWYUAFIDZRDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-5-3-9(4-6-11)12-8-18-20-14(16(21)22)7-13(10-1-2-10)19-15(12)20/h3-8,10H,1-2H2,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 44822341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).