5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile

C7H8N4 — CID 13098628

IUPAC5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile
SMILESCC1(C)NN=C(C#N)C1C#N
InChIInChI=1S/C7H8N4/c1-7(2)5(3-8)6(4-9)10-11-7/h5,11H,1-2H3
InChIKeyLJPVMTUQEOUISF-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.39
Rot. Bonds

About 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile

5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile (PubChem CID 13098628) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile.

Molecular Properties

Compound Name5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile
PubChem CID13098628
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile
SMILESCC1(C)NN=C(C#N)C1C#N
InChIInChI=1S/C7H8N4/c1-7(2)5(3-8)6(4-9)10-11-7/h5,11H,1-2H3
InChIKeyLJPVMTUQEOUISF-UHFFFAOYSA-N
XLogP0.39
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile?
The IUPAC name of 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile (CID 13098628) is 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile.
What is the SMILES notation for 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile?
The canonical SMILES for 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile is CC1(C)NN=C(C#N)C1C#N.
What is the InChIKey of 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile?
The InChIKey is LJPVMTUQEOUISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-7(2)5(3-8)6(4-9)10-11-7/h5,11H,1-2H3.
What are the key properties of 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile?
5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile has a molecular weight of 148.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,4-dihydropyrazole-3,4-dicarbonitrile is sourced from PubChem (CID 13098628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).