1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile

C8H5N5 — CID 121215043

IUPAC1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile
SMILESN#CCn1ccn2nc(C#N)cc12
InChIInChI=1S/C8H5N5/c9-1-2-12-3-4-13-8(12)5-7(6-10)11-13/h3-5H,2H2
InChIKeyOGAJPRRXEALNPC-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.53
Rot. Bonds1

About 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile

1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile (PubChem CID 121215043) has the molecular formula C8H5N5 and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile.

Molecular Properties

Compound Name1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile
PubChem CID121215043
Molecular FormulaC8H5N5
Molecular Weight171.16 g/mol
Exact Mass171.05
IUPAC Name1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile
SMILESN#CCn1ccn2nc(C#N)cc12
InChIInChI=1S/C8H5N5/c9-1-2-12-3-4-13-8(12)5-7(6-10)11-13/h3-5H,2H2
InChIKeyOGAJPRRXEALNPC-UHFFFAOYSA-N
XLogP0.53
TPSA69.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile
CID 121214980
1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide
CID 121215034
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922
2-[4-(cyanomethyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107543240
2-(3-methylpyrazol-1-yl)acetonitrile
CID 14028987
4-(cyanomethyl)pyridine-2,6-dicarbonitrile
CID 166913297
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
ethane;5-ethyl-1-methylpyrazole-3-carbonitrile
CID 177051702
2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
1-(2,2-difluoroethyl)pyrazole-3-carbonitrile
CID 50896841
2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetonitrile
CID 80581156

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile?
The IUPAC name of 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile (CID 121215043) is 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile.
What is the SMILES notation for 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile?
The canonical SMILES for 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile is N#CCn1ccn2nc(C#N)cc12.
What is the InChIKey of 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile?
The InChIKey is OGAJPRRXEALNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5/c9-1-2-12-3-4-13-8(12)5-7(6-10)11-13/h3-5H,2H2.
What are the key properties of 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile?
1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile is sourced from PubChem (CID 121215043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).