3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile

C15H17N3O — CID 107663258

IUPAC3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
SMILESCCn1nc(C)cc1COc1cc(C#N)ccc1C
InChIInChI=1S/C15H17N3O/c1-4-18-14(7-12(3)17-18)10-19-15-8-13(9-16)6-5-11(15)2/h5-8H,4,10H2,1-3H3
InChIKeyRMQMKOKCGSYAPA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.97
Rot. Bonds4

About 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile

3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile (PubChem CID 107663258) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
PubChem CID107663258
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
SMILESCCn1nc(C)cc1COc1cc(C#N)ccc1C
InChIInChI=1S/C15H17N3O/c1-4-18-14(7-12(3)17-18)10-19-15-8-13(9-16)6-5-11(15)2/h5-8H,4,10H2,1-3H3
InChIKeyRMQMKOKCGSYAPA-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylbenzonitrile
CID 103760389
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]indole-5-carbonitrile
CID 107920403
(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025659
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107663259
(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 79025610
1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80998222
4-methyl-3-(2-pyrazol-1-ylethoxy)benzonitrile
CID 113256433
2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589077
(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 79025693
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile?
The IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile (CID 107663258) is 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile is CCn1nc(C)cc1COc1cc(C#N)ccc1C.
What is the InChIKey of 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile?
The InChIKey is RMQMKOKCGSYAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-18-14(7-12(3)17-18)10-19-15-8-13(9-16)6-5-11(15)2/h5-8H,4,10H2,1-3H3.
What are the key properties of 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile?
3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile is sourced from PubChem (CID 107663258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).