3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid

C23H18N2O3 — CID 11187832

IUPAC3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-n2nccc2-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C23H18N2O3/c26-23(27)18-9-6-10-19(15-18)25-21(13-14-24-25)20-11-4-5-12-22(20)28-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,26,27)
InChIKeyHJVYDTCVMDTROS-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.82
Rot. Bonds6

About 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid

3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid (PubChem CID 11187832) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid
PubChem CID11187832
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-n2nccc2-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C23H18N2O3/c26-23(27)18-9-6-10-19(15-18)25-21(13-14-24-25)20-11-4-5-12-22(20)28-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,26,27)
InChIKeyHJVYDTCVMDTROS-UHFFFAOYSA-N
XLogP4.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid (CID 11187832) is 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid is O=C(O)c1cccc(-n2nccc2-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid?
The InChIKey is HJVYDTCVMDTROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-23(27)18-9-6-10-19(15-18)25-21(13-14-24-25)20-11-4-5-12-22(20)28-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,26,27).
What are the key properties of 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid?
3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 11187832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).