2,5-dimethylpyrazole-3-carbonitrile

C6H7N3 — CID 2736297

IUPAC2,5-dimethylpyrazole-3-carbonitrile
SMILESCc1cc(C#N)n(C)n1
InChIInChI=1S/C6H7N3/c1-5-3-6(4-7)9(2)8-5/h3H,1-2H3
InChIKeyFLBLWIMFXGNWRG-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.60
Rot. Bonds

About 2,5-dimethylpyrazole-3-carbonitrile

2,5-dimethylpyrazole-3-carbonitrile (PubChem CID 2736297) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2,5-dimethylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name2,5-dimethylpyrazole-3-carbonitrile
PubChem CID2736297
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name2,5-dimethylpyrazole-3-carbonitrile
SMILESCc1cc(C#N)n(C)n1
InChIInChI=1S/C6H7N3/c1-5-3-6(4-7)9(2)8-5/h3H,1-2H3
InChIKeyFLBLWIMFXGNWRG-UHFFFAOYSA-N
XLogP0.60
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1-methyl-3-((methylamino)methyl)-1h-pyrazole-5-carbonitrile hydrochloride salt
CID 138106110
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
5-(chloromethyl)-1,3-dimethyl-1H-pyrazole
CID 4961270
3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole
CID 7537475

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazole-3-carbonitrile?
The IUPAC name of 2,5-dimethylpyrazole-3-carbonitrile (CID 2736297) is 2,5-dimethylpyrazole-3-carbonitrile.
What is the SMILES notation for 2,5-dimethylpyrazole-3-carbonitrile?
The canonical SMILES for 2,5-dimethylpyrazole-3-carbonitrile is Cc1cc(C#N)n(C)n1.
What is the InChIKey of 2,5-dimethylpyrazole-3-carbonitrile?
The InChIKey is FLBLWIMFXGNWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-3-6(4-7)9(2)8-5/h3H,1-2H3.
What are the key properties of 2,5-dimethylpyrazole-3-carbonitrile?
2,5-dimethylpyrazole-3-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazole-3-carbonitrile is sourced from PubChem (CID 2736297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).