3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C16H15BrN4 — CID 69490103

IUPAC3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1c(-c2ccccc2)nn2c(N3CCCC3)ccnc12
InChIInChI=1S/C16H15BrN4/c17-14-15(12-6-2-1-3-7-12)19-21-13(8-9-18-16(14)21)20-10-4-5-11-20/h1-3,6-9H,4-5,10-11H2
InChIKeyVINVXTXFQHCWER-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.76
Rot. Bonds2

About 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 69490103) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID69490103
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1c(-c2ccccc2)nn2c(N3CCCC3)ccnc12
InChIInChI=1S/C16H15BrN4/c17-14-15(12-6-2-1-3-7-12)19-21-13(8-9-18-16(14)21)20-10-4-5-11-20/h1-3,6-9H,4-5,10-11H2
InChIKeyVINVXTXFQHCWER-UHFFFAOYSA-N
XLogP3.76
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 69490103) is 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is Brc1c(-c2ccccc2)nn2c(N3CCCC3)ccnc12.
What is the InChIKey of 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VINVXTXFQHCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-14-15(12-6-2-1-3-7-12)19-21-13(8-9-18-16(14)21)20-10-4-5-11-20/h1-3,6-9H,4-5,10-11H2.
What are the key properties of 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 343.23 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 69490103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).