2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile

C15H15N3O2 — CID 168770755

IUPAC2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile
SMILESCn1nc([C@H]2CCCO2)cc1Oc1ccccc1C#N
InChIInChI=1S/C15H15N3O2/c1-18-15(9-12(17-18)14-7-4-8-19-14)20-13-6-3-2-5-11(13)10-16/h2-3,5-6,9,14H,4,7-8H2,1H3/t14-/m1/s1
InChIKeyCZXYVAKIXCWZKG-CQSZACIVSA-N
MW269.30 g/mol
LogP2.94
Rot. Bonds3

About 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile

2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile (PubChem CID 168770755) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile
PubChem CID168770755
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile
SMILESCn1nc([C@H]2CCCO2)cc1Oc1ccccc1C#N
InChIInChI=1S/C15H15N3O2/c1-18-15(9-12(17-18)14-7-4-8-19-14)20-13-6-3-2-5-11(13)10-16/h2-3,5-6,9,14H,4,7-8H2,1H3/t14-/m1/s1
InChIKeyCZXYVAKIXCWZKG-CQSZACIVSA-N
XLogP2.94
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65161585
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
5-bromo-2-(2,5-dimethylpyrazol-3-yl)oxybenzonitrile
CID 114891082
2-[4-[4-chloro-2-(2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-6-(oxolan-2-yl)pyridine-4-carboxamide
CID 71029346
2,6-bis(oxolan-2-yl)pyridine-4-carbonitrile
CID 14024161
4-[5-(aminomethyl)-2-pyridinyl]-3-[1-methyl-3-[(3R)-oxan-3-yl]pyrazol-5-yl]oxybenzonitrile
CID 167429598
2-[1-(1-methylpiperidin-3-yl)ethoxy]benzonitrile
CID 117052822
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[1-methyl-3-[(3S)-oxolan-3-yl]pyrazol-5-yl]oxybenzonitrile
CID 167429646
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052792
2-[1-[(2S)-oxiran-2-yl]ethoxy]benzonitrile
CID 86640575
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile?
The IUPAC name of 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile (CID 168770755) is 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile.
What is the SMILES notation for 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile?
The canonical SMILES for 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile is Cn1nc([C@H]2CCCO2)cc1Oc1ccccc1C#N.
What is the InChIKey of 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile?
The InChIKey is CZXYVAKIXCWZKG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18-15(9-12(17-18)14-7-4-8-19-14)20-13-6-3-2-5-11(13)10-16/h2-3,5-6,9,14H,4,7-8H2,1H3/t14-/m1/s1.
What are the key properties of 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile?
2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-[(2R)-oxolan-2-yl]pyrazol-5-yl]oxybenzonitrile is sourced from PubChem (CID 168770755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).