3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine

C21H19N7 — CID 50959268

IUPAC3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(Cn1cccn1)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12
InChIInChI=1S/C21H19N7/c1-16(14-26-11-6-10-24-26)27-15-23-19(17-7-3-2-4-8-17)20(27)18-13-25-28-12-5-9-22-21(18)28/h2-13,15-16H,14H2,1H3
InChIKeyUQSUBFNUMIPQMD-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.72
Rot. Bonds5

About 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine

3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 50959268) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID50959268
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(Cn1cccn1)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12
InChIInChI=1S/C21H19N7/c1-16(14-26-11-6-10-24-26)27-15-23-19(17-7-3-2-4-8-17)20(27)18-13-25-28-12-5-9-22-21(18)28/h2-13,15-16H,14H2,1H3
InChIKeyUQSUBFNUMIPQMD-UHFFFAOYSA-N
XLogP3.72
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine (CID 50959268) is 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine is CC(Cn1cccn1)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12.
What is the InChIKey of 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UQSUBFNUMIPQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-16(14-26-11-6-10-24-26)27-15-23-19(17-7-3-2-4-8-17)20(27)18-13-25-28-12-5-9-22-21(18)28/h2-13,15-16H,14H2,1H3.
What are the key properties of 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 369.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50959268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).