(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

C22H22N2O4 — CID 51535248

IUPAC(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C22H22N2O4/c25-22(18-6-10-20(11-7-18)27-16-21-3-1-14-26-21)28-15-17-4-8-19(9-5-17)24-13-2-12-23-24/h2,4-13,21H,1,3,14-16H2/t21-/m1/s1
InChIKeyLVBAUZPPNGDWNV-OAQYLSRUSA-N
MW378.43 g/mol
LogP3.79
Rot. Bonds7

About (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (PubChem CID 51535248) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
PubChem CID51535248
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C22H22N2O4/c25-22(18-6-10-20(11-7-18)27-16-21-3-1-14-26-21)28-15-17-4-8-19(9-5-17)24-13-2-12-23-24/h2,4-13,21H,1,3,14-16H2/t21-/m1/s1
InChIKeyLVBAUZPPNGDWNV-OAQYLSRUSA-N
XLogP3.79
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
CID 25333571
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 26326345
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
CID 97185490
(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55323446
(4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate
CID 167899744
[2-(cyclopentylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4540325
(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate
CID 40767413
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 42915833

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (CID 51535248) is (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The InChIKey is LVBAUZPPNGDWNV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-22(18-6-10-20(11-7-18)27-16-21-3-1-14-26-21)28-15-17-4-8-19(9-5-17)24-13-2-12-23-24/h2,4-13,21H,1,3,14-16H2/t21-/m1/s1.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate has a molecular weight of 378.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is sourced from PubChem (CID 51535248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).