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

C14H13N3 — CID 3076269

IUPAC6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole
SMILESC=CCc1c(-c2ccccc2)[nH]n2ccnc12
InChIInChI=1S/C14H13N3/c1-2-6-12-13(11-7-4-3-5-8-11)16-17-10-9-15-14(12)17/h2-5,7-10,16H,1,6H2
InChIKeyUZRQNAIRFWXSGR-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.06
Rot. Bonds3

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

6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole (PubChem CID 3076269) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole
PubChem CID3076269
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole
SMILESC=CCc1c(-c2ccccc2)[nH]n2ccnc12
InChIInChI=1S/C14H13N3/c1-2-6-12-13(11-7-4-3-5-8-11)16-17-10-9-15-14(12)17/h2-5,7-10,16H,1,6H2
InChIKeyUZRQNAIRFWXSGR-UHFFFAOYSA-N
XLogP3.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole?
The IUPAC name of 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole (CID 3076269) is 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole.
What is the SMILES notation for 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole?
The canonical SMILES for 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole is C=CCc1c(-c2ccccc2)[nH]n2ccnc12.
What is the InChIKey of 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole?
The InChIKey is UZRQNAIRFWXSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-6-12-13(11-7-4-3-5-8-11)16-17-10-9-15-14(12)17/h2-5,7-10,16H,1,6H2.
What are the key properties of 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole?
6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole has a molecular weight of 223.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-prop-2-enyl-5H-imidazo[1,2-b]pyrazole is sourced from PubChem (CID 3076269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).