4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile

C14H15N3O2 — CID 81305880

IUPAC4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile
SMILESCOc1ccc(C#N)c(Oc2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H15N3O2/c1-9-14(10(2)17(3)16-9)19-13-7-12(18-4)6-5-11(13)8-15/h5-7H,1-4H3
InChIKeyVWGXVZSPNCSFJP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.71
Rot. Bonds3

About 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile

4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile (PubChem CID 81305880) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile
PubChem CID81305880
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile
SMILESCOc1ccc(C#N)c(Oc2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H15N3O2/c1-9-14(10(2)17(3)16-9)19-13-7-12(18-4)6-5-11(13)8-15/h5-7H,1-4H3
InChIKeyVWGXVZSPNCSFJP-UHFFFAOYSA-N
XLogP2.71
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile
CID 114891073
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225
3-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80748204
2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 83072758
4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
CID 81305970
2-(4-ethylphenoxy)-4-methoxybenzonitrile
CID 81306042
4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 83008583
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
CID 58077329
2-(2-chloro-6-nitrophenoxy)-4-methoxybenzonitrile
CID 107716757
2-(3-iodophenoxy)-4-methoxybenzonitrile
CID 81305875
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
CID 81305874

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile?
The IUPAC name of 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile (CID 81305880) is 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile?
The canonical SMILES for 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile is COc1ccc(C#N)c(Oc2c(C)nn(C)c2C)c1.
What is the InChIKey of 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile?
The InChIKey is VWGXVZSPNCSFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-14(10(2)17(3)16-9)19-13-7-12(18-4)6-5-11(13)8-15/h5-7H,1-4H3.
What are the key properties of 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile?
4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile is sourced from PubChem (CID 81305880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).