2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H12N3O2- — CID 6946048

IUPAC2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCc1nn2c(C)c(C(=O)[O-])cnc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-9-13(11-6-4-3-5-7-11)14-16-8-12(15(19)20)10(2)18(14)17-9/h3-8H,1-2H3,(H,19,20)/p-1
InChIKeyBBSUDQRGSXZPSA-UHFFFAOYSA-M
MW266.28 g/mol
LogP1.38
Rot. Bonds2

About 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 6946048) has the molecular formula C15H12N3O2- and a molecular weight of 266.28 g/mol. Its IUPAC name is 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID6946048
Molecular FormulaC15H12N3O2-
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCc1nn2c(C)c(C(=O)[O-])cnc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-9-13(11-6-4-3-5-7-11)14-16-8-12(15(19)20)10(2)18(14)17-9/h3-8H,1-2H3,(H,19,20)/p-1
InChIKeyBBSUDQRGSXZPSA-UHFFFAOYSA-M
XLogP1.38
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 6946048) is 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is Cc1nn2c(C)c(C(=O)[O-])cnc2c1-c1ccccc1.
What is the InChIKey of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is BBSUDQRGSXZPSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13N3O2/c1-9-13(11-6-4-3-5-7-11)14-16-8-12(15(19)20)10(2)18(14)17-9/h3-8H,1-2H3,(H,19,20)/p-1.
What are the key properties of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 266.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 6946048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).