2-(3,5-diphenylpyrazol-1-yl)acetic acid

C17H14N2O2 — CID 824607

IUPAC2-(3,5-diphenylpyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c20-17(21)12-19-16(14-9-5-2-6-10-14)11-15(18-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,20,21)
InChIKeyIIHJYPFNYZEWPS-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.30
Rot. Bonds4

About 2-(3,5-diphenylpyrazol-1-yl)acetic acid

2-(3,5-diphenylpyrazol-1-yl)acetic acid (PubChem CID 824607) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3,5-diphenylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-diphenylpyrazol-1-yl)acetic acid
PubChem CID824607
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(3,5-diphenylpyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c20-17(21)12-19-16(14-9-5-2-6-10-14)11-15(18-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,20,21)
InChIKeyIIHJYPFNYZEWPS-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Inz-1
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(2E)-3-(1-benzyl-3-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
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Methyl 2-[3-(2,5-difluorophenyl)indazol-1-yl]acetate
CID 73506262
(3-methyl-1H-indazol-1-yl)acetic acid
CID 3237757
3-(1,3-Diphenyl-1h-pyrazol-4-yl)-acrylic acid
CID 706607
2-(2H-indazol-2-yl)acetic acid
CID 12252435
Methyl 2-(3-(3-fluorophenyl)-1H-indazol-1-yl)acetate
CID 49835858
Methyl 2-[3-(2-fluorophenyl)indazol-1-yl]acetate
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Methyl 2-[3-(2,6-difluorophenyl)indazol-1-yl]acetate
CID 73506475

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)acetic acid (CID 824607) is 2-(3,5-diphenylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3,5-diphenylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3,5-diphenylpyrazol-1-yl)acetic acid is O=C(O)Cn1nc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-(3,5-diphenylpyrazol-1-yl)acetic acid?
The InChIKey is IIHJYPFNYZEWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21)12-19-16(14-9-5-2-6-10-14)11-15(18-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,20,21).
What are the key properties of 2-(3,5-diphenylpyrazol-1-yl)acetic acid?
2-(3,5-diphenylpyrazol-1-yl)acetic acid has a molecular weight of 278.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 824607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).