7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole

C11H14N6 — CID 121215206

IUPAC7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole
SMILESCc1nn2ccn(CC3CC3)c2c1CN=[N+]=[N-]
InChIInChI=1S/C11H14N6/c1-8-10(6-13-15-12)11-16(7-9-2-3-9)4-5-17(11)14-8/h4-5,9H,2-3,6-7H2,1H3
InChIKeyUWYKZKVFQVLGKR-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.66
Rot. Bonds4

About 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole

7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole (PubChem CID 121215206) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole
PubChem CID121215206
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole
SMILESCc1nn2ccn(CC3CC3)c2c1CN=[N+]=[N-]
InChIInChI=1S/C11H14N6/c1-8-10(6-13-15-12)11-16(7-9-2-3-9)4-5-17(11)14-8/h4-5,9H,2-3,6-7H2,1H3
InChIKeyUWYKZKVFQVLGKR-UHFFFAOYSA-N
XLogP2.66
TPSA70.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole?
The IUPAC name of 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole (CID 121215206) is 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole?
The canonical SMILES for 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole is Cc1nn2ccn(CC3CC3)c2c1CN=[N+]=[N-].
What is the InChIKey of 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole?
The InChIKey is UWYKZKVFQVLGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8-10(6-13-15-12)11-16(7-9-2-3-9)4-5-17(11)14-8/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole?
7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole has a molecular weight of 230.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 121215206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).