1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile

C14H11N7 — CID 104733750

IUPAC1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
SMILESCC(C)c1cc2c(-n3cnc(C#N)c3C#N)nccn2n1
InChIInChI=1S/C14H11N7/c1-9(2)10-5-12-14(17-3-4-21(12)19-10)20-8-18-11(6-15)13(20)7-16/h3-5,8-9H,1-2H3
InChIKeyOQUZJQYDBZEJHO-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.78
Rot. Bonds2

About 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile

1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile (PubChem CID 104733750) has the molecular formula C14H11N7 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
PubChem CID104733750
Molecular FormulaC14H11N7
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
SMILESCC(C)c1cc2c(-n3cnc(C#N)c3C#N)nccn2n1
InChIInChI=1S/C14H11N7/c1-9(2)10-5-12-14(17-3-4-21(12)19-10)20-8-18-11(6-15)13(20)7-16/h3-5,8-9H,1-2H3
InChIKeyOQUZJQYDBZEJHO-UHFFFAOYSA-N
XLogP1.78
TPSA95.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733751
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile
CID 114653453
4-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734381
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide
CID 104733768
6-propan-2-ylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 152839118
1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112594841
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]methanamine
CID 104734304
1-[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanol
CID 106837325
N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide
CID 136675875
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol
CID 104733050

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile (CID 104733750) is 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile is CC(C)c1cc2c(-n3cnc(C#N)c3C#N)nccn2n1.
What is the InChIKey of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile?
The InChIKey is OQUZJQYDBZEJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7/c1-9(2)10-5-12-14(17-3-4-21(12)19-10)20-8-18-11(6-15)13(20)7-16/h3-5,8-9H,1-2H3.
What are the key properties of 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile?
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile has a molecular weight of 277.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 104733750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).