1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile

C12H12N6 — CID 112595742

IUPAC1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESCCc1cc(Cn2cnc(C#N)c2C#N)n(C)n1
InChIInChI=1S/C12H12N6/c1-3-9-4-10(17(2)16-9)7-18-8-15-11(5-13)12(18)6-14/h4,8H,3,7H2,1-2H3
InChIKeyQVADRZCFFSSPLC-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595742) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
PubChem CID112595742
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESCCc1cc(Cn2cnc(C#N)c2C#N)n(C)n1
InChIInChI=1S/C12H12N6/c1-3-9-4-10(17(2)16-9)7-18-8-15-11(5-13)12(18)6-14/h4,8H,3,7H2,1-2H3
InChIKeyQVADRZCFFSSPLC-UHFFFAOYSA-N
XLogP0.97
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,4,6-trimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595657
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile
CID 107920157
1-nonylimidazole-4,5-dicarbonitrile
CID 112595489
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402333
1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
CID 112595521
1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595584
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595443
1-(methoxymethyl)imidazole-4,5-dicarbonitrile
CID 15054275
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one
CID 116624745
1-[(3-fluoro-4-methoxyphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595718
1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile
CID 103057618

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile (CID 112595742) is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile is CCc1cc(Cn2cnc(C#N)c2C#N)n(C)n1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is QVADRZCFFSSPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-3-9-4-10(17(2)16-9)7-18-8-15-11(5-13)12(18)6-14/h4,8H,3,7H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile?
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 240.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).