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

C19H10ClF2N3O2 — CID 15957592

IUPAC5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3cc(F)cc(F)c3)n2n1
InChIInChI=1S/C19H10ClF2N3O2/c20-12-3-1-10(2-4-12)15-8-17(11-5-13(21)7-14(22)6-11)25-18(23-15)9-16(24-25)19(26)27/h1-9H,(H,26,27)
InChIKeyYDISVXNSDBNUPS-UHFFFAOYSA-N
MW385.76 g/mol
LogP4.69
Rot. Bonds3

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

5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957592) has the molecular formula C19H10ClF2N3O2 and a molecular weight of 385.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957592
Molecular FormulaC19H10ClF2N3O2
Molecular Weight385.76 g/mol
Exact Mass385.04
IUPAC Name5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3cc(F)cc(F)c3)n2n1
InChIInChI=1S/C19H10ClF2N3O2/c20-12-3-1-10(2-4-12)15-8-17(11-5-13(21)7-14(22)6-11)25-18(23-15)9-16(24-25)19(26)27/h1-9H,(H,26,27)
InChIKeyYDISVXNSDBNUPS-UHFFFAOYSA-N
XLogP4.69
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957592) is 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(-c3cc(F)cc(F)c3)n2n1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is YDISVXNSDBNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N3O2/c20-12-3-1-10(2-4-12)15-8-17(11-5-13(21)7-14(22)6-11)25-18(23-15)9-16(24-25)19(26)27/h1-9H,(H,26,27).
What are the key properties of 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 385.76 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).