7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole

C15H17N3 — CID 3076268

IUPAC7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole
SMILESCCCCc1c(-c2ccccc2)[nH]n2ccnc12
InChIInChI=1S/C15H17N3/c1-2-3-9-13-14(12-7-5-4-6-8-12)17-18-11-10-16-15(13)18/h4-8,10-11,17H,2-3,9H2,1H3
InChIKeyXDKKGMMTJLTPON-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.67
Rot. Bonds4

About 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole

7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole (PubChem CID 3076268) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole
PubChem CID3076268
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole
SMILESCCCCc1c(-c2ccccc2)[nH]n2ccnc12
InChIInChI=1S/C15H17N3/c1-2-3-9-13-14(12-7-5-4-6-8-12)17-18-11-10-16-15(13)18/h4-8,10-11,17H,2-3,9H2,1H3
InChIKeyXDKKGMMTJLTPON-UHFFFAOYSA-N
XLogP3.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole?
The IUPAC name of 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole (CID 3076268) is 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole.
What is the SMILES notation for 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole?
The canonical SMILES for 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole is CCCCc1c(-c2ccccc2)[nH]n2ccnc12.
What is the InChIKey of 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole?
The InChIKey is XDKKGMMTJLTPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-3-9-13-14(12-7-5-4-6-8-12)17-18-11-10-16-15(13)18/h4-8,10-11,17H,2-3,9H2,1H3.
What are the key properties of 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole?
7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole has a molecular weight of 239.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-6-phenyl-5H-imidazo[1,2-b]pyrazole is sourced from PubChem (CID 3076268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).