3-(3,5-dimethylpyrazol-1-yl)propanenitrile

C8H11N3 — CID 2799780

IUPAC3-(3,5-dimethylpyrazol-1-yl)propanenitrile
SMILESCc1cc(C)n(CCC#N)n1
InChIInChI=1S/C8H11N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3,5H2,1-2H3
InChIKeyICIVXBSKIBYPHR-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.41
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)propanenitrile

3-(3,5-dimethylpyrazol-1-yl)propanenitrile (PubChem CID 2799780) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)propanenitrile
PubChem CID2799780
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)propanenitrile
SMILESCc1cc(C)n(CCC#N)n1
InChIInChI=1S/C8H11N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3,5H2,1-2H3
InChIKeyICIVXBSKIBYPHR-UHFFFAOYSA-N
XLogP1.41
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.41
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-ol
CID 259665
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
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
CID 661322
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

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)propanenitrile?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)propanenitrile (CID 2799780) is 3-(3,5-dimethylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)propanenitrile?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)propanenitrile is Cc1cc(C)n(CCC#N)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)propanenitrile?
The InChIKey is ICIVXBSKIBYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3,5H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)propanenitrile?
3-(3,5-dimethylpyrazol-1-yl)propanenitrile has a molecular weight of 149.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 2799780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).