1-methylimidazo[2,1-e]pyrazole-7-carbonitrile

C7H6N4 — CID 19089125

IUPAC1-methylimidazo[2,1-e]pyrazole-7-carbonitrile
SMILESCn1ccn2ncc(C#N)c12
InChIInChI=1S/C7H6N4/c1-10-2-3-11-7(10)6(4-8)5-9-11/h2-3,5H,1H3
InChIKeyOKRHNDXHPCRASP-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.54
Rot. Bonds

About 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile

1-methylimidazo[2,1-e]pyrazole-7-carbonitrile (PubChem CID 19089125) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name1-methylimidazo[2,1-e]pyrazole-7-carbonitrile
PubChem CID19089125
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name1-methylimidazo[2,1-e]pyrazole-7-carbonitrile
SMILESCn1ccn2ncc(C#N)c12
InChIInChI=1S/C7H6N4/c1-10-2-3-11-7(10)6(4-8)5-9-11/h2-3,5H,1H3
InChIKeyOKRHNDXHPCRASP-UHFFFAOYSA-N
XLogP0.54
TPSA46.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile?
The IUPAC name of 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile (CID 19089125) is 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile.
What is the SMILES notation for 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile?
The canonical SMILES for 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile is Cn1ccn2ncc(C#N)c12.
What is the InChIKey of 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile?
The InChIKey is OKRHNDXHPCRASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-10-2-3-11-7(10)6(4-8)5-9-11/h2-3,5H,1H3.
What are the key properties of 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile?
1-methylimidazo[2,1-e]pyrazole-7-carbonitrile has a molecular weight of 146.15 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazo[2,1-e]pyrazole-7-carbonitrile is sourced from PubChem (CID 19089125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).