3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile

C15H17N3O — CID 103002570

IUPAC3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
SMILESCc1cc(C#N)cc(C)c1OCCc1ccnn1C
InChIInChI=1S/C15H17N3O/c1-11-8-13(10-16)9-12(2)15(11)19-7-5-14-4-6-17-18(14)3/h4,6,8-9H,5,7H2,1-3H3
InChIKeyPETYFVSUXVVTNY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.53
Rot. Bonds4

About 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile

3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile (PubChem CID 103002570) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
PubChem CID103002570
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
SMILESCc1cc(C#N)cc(C)c1OCCc1ccnn1C
InChIInChI=1S/C15H17N3O/c1-11-8-13(10-16)9-12(2)15(11)19-7-5-14-4-6-17-18(14)3/h4,6,8-9H,5,7H2,1-3H3
InChIKeyPETYFVSUXVVTNY-UHFFFAOYSA-N
XLogP2.53
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 107663250
3-amino-5-iodo-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 102999353
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
5-[2-[2-(chloromethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003805
5-[2-[2-(bromomethyl)-6-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003812
2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 103007006
4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzonitrile
CID 14981815
4-[2-(2-aminoethoxy)ethoxy]-3,5-dimethylbenzonitrile
CID 103482555
3,5-dimethyl-4-[3-(2H-1,3,4-thiadiazol-3-yl)propoxy]benzonitrile
CID 67661652
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
3,5-dimethyl-4-[3-(2-methyl-1,3-thiazol-5-yl)propoxy]benzonitrile
CID 22103403

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile?
The IUPAC name of 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile (CID 103002570) is 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile.
What is the SMILES notation for 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile?
The canonical SMILES for 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile is Cc1cc(C#N)cc(C)c1OCCc1ccnn1C.
What is the InChIKey of 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile?
The InChIKey is PETYFVSUXVVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-8-13(10-16)9-12(2)15(11)19-7-5-14-4-6-17-18(14)3/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile?
3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile is sourced from PubChem (CID 103002570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).