3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile

C18H15N3O2 — CID 17499743

IUPAC3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H15N3O2/c1-22-18-11-15(12-19)5-8-17(18)23-13-14-3-6-16(7-4-14)21-10-2-9-20-21/h2-11H,13H2,1H3
InChIKeyVPWJJTYPRXLDIL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.33
Rot. Bonds5

About 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile

3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile (PubChem CID 17499743) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
PubChem CID17499743
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H15N3O2/c1-22-18-11-15(12-19)5-8-17(18)23-13-14-3-6-16(7-4-14)21-10-2-9-20-21/h2-11H,13H2,1H3
InChIKeyVPWJJTYPRXLDIL-UHFFFAOYSA-N
XLogP3.33
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 39605576
(4-pyrazol-1-ylphenyl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 16571324
3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
CID 43646133
3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
CID 102881171
3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)benzonitrile
CID 163318740
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile
CID 26054579
4-(4-cyano-2-methoxyphenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 55795593

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile?
The IUPAC name of 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile (CID 17499743) is 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile is COc1cc(C#N)ccc1OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile?
The InChIKey is VPWJJTYPRXLDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-22-18-11-15(12-19)5-8-17(18)23-13-14-3-6-16(7-4-14)21-10-2-9-20-21/h2-11H,13H2,1H3.
What are the key properties of 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile?
3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 17499743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).