2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid

C18H16N2O3 — CID 69430505

IUPAC2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-17(22)11-15-12-20(16-9-5-2-6-10-16)19-18(15)23-13-14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,21,22)
InChIKeyVVJZCKJEUMACBF-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.08
Rot. Bonds6

About 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid

2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid (PubChem CID 69430505) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid
PubChem CID69430505
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-17(22)11-15-12-20(16-9-5-2-6-10-16)19-18(15)23-13-14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,21,22)
InChIKeyVVJZCKJEUMACBF-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid (CID 69430505) is 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid is O=C(O)Cc1cn(-c2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid?
The InChIKey is VVJZCKJEUMACBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(22)11-15-12-20(16-9-5-2-6-10-16)19-18(15)23-13-14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,21,22).
What are the key properties of 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid?
2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid has a molecular weight of 308.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid is sourced from PubChem (CID 69430505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).