3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine

C12H13N5 — CID 50977650

IUPAC3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCCc1nccn1-c1cnn2cccnc12
InChIInChI=1S/C12H13N5/c1-2-4-11-13-6-8-16(11)10-9-15-17-7-3-5-14-12(10)17/h3,5-9H,2,4H2,1H3
InChIKeyDBVPZGDAMAICHU-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.87
Rot. Bonds3

About 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine

3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 50977650) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID50977650
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCCc1nccn1-c1cnn2cccnc12
InChIInChI=1S/C12H13N5/c1-2-4-11-13-6-8-16(11)10-9-15-17-7-3-5-14-12(10)17/h3,5-9H,2,4H2,1H3
InChIKeyDBVPZGDAMAICHU-UHFFFAOYSA-N
XLogP1.87
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine (CID 50977650) is 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine is CCCc1nccn1-c1cnn2cccnc12.
What is the InChIKey of 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DBVPZGDAMAICHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-4-11-13-6-8-16(11)10-9-15-17-7-3-5-14-12(10)17/h3,5-9H,2,4H2,1H3.
What are the key properties of 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine?
3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 227.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50977650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).