4-(1-methylpyrazol-4-yl)oxybenzonitrile

C11H9N3O — CID 83619748

IUPAC4-(1-methylpyrazol-4-yl)oxybenzonitrile
SMILESCn1cc(Oc2ccc(C#N)cc2)cn1
InChIInChI=1S/C11H9N3O/c1-14-8-11(7-13-14)15-10-4-2-9(6-12)3-5-10/h2-5,7-8H,1H3
InChIKeyQIGOHYJKXVLXNL-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.08
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)oxybenzonitrile

4-(1-methylpyrazol-4-yl)oxybenzonitrile (PubChem CID 83619748) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)oxybenzonitrile
PubChem CID83619748
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name4-(1-methylpyrazol-4-yl)oxybenzonitrile
SMILESCn1cc(Oc2ccc(C#N)cc2)cn1
InChIInChI=1S/C11H9N3O/c1-14-8-11(7-13-14)15-10-4-2-9(6-12)3-5-10/h2-5,7-8H,1H3
InChIKeyQIGOHYJKXVLXNL-UHFFFAOYSA-N
XLogP2.08
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 116792720
4-[(1R)-1-hydroxyethyl]-3-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 104893488
tert-butyl 2-[4-(4-cyanophenoxy)pyrazol-1-yl]acetate
CID 166174661
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116792884
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
5-bromo-2-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 114891101
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 172554828
(1-methylpyrazol-4-yl) 3-cyanobenzoate
CID 86814188
N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide
CID 62981381
1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile
CID 133487328
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)oxybenzonitrile?
The IUPAC name of 4-(1-methylpyrazol-4-yl)oxybenzonitrile (CID 83619748) is 4-(1-methylpyrazol-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)oxybenzonitrile is Cn1cc(Oc2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)oxybenzonitrile?
The InChIKey is QIGOHYJKXVLXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-14-8-11(7-13-14)15-10-4-2-9(6-12)3-5-10/h2-5,7-8H,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)oxybenzonitrile?
4-(1-methylpyrazol-4-yl)oxybenzonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)oxybenzonitrile is sourced from PubChem (CID 83619748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).