3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile

C14H15N3O — CID 82866204

IUPAC3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile
SMILESCc1cc(C#N)cc(C)c1OCc1ccn(C)n1
InChIInChI=1S/C14H15N3O/c1-10-6-12(8-15)7-11(2)14(10)18-9-13-4-5-17(3)16-13/h4-7H,9H2,1-3H3
InChIKeyTYRKXLBNIGVHMJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.49
Rot. Bonds3

About 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile

3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile (PubChem CID 82866204) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile
PubChem CID82866204
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile
SMILESCc1cc(C#N)cc(C)c1OCc1ccn(C)n1
InChIInChI=1S/C14H15N3O/c1-10-6-12(8-15)7-11(2)14(10)18-9-13-4-5-17(3)16-13/h4-7H,9H2,1-3H3
InChIKeyTYRKXLBNIGVHMJ-UHFFFAOYSA-N
XLogP2.49
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 82876258
1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82878160
4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 79245492
3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865663
3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzonitrile
CID 65472094
4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65470169
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
3,5-dimethyl-4-(2-methylpropoxy)benzonitrile
CID 65454303
4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278
[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870264
3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 103002570

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile?
The IUPAC name of 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile (CID 82866204) is 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile.
What is the SMILES notation for 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile?
The canonical SMILES for 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile is Cc1cc(C#N)cc(C)c1OCc1ccn(C)n1.
What is the InChIKey of 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile?
The InChIKey is TYRKXLBNIGVHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-6-12(8-15)7-11(2)14(10)18-9-13-4-5-17(3)16-13/h4-7H,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile?
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile is sourced from PubChem (CID 82866204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).