2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid

C19H18N2O3 — CID 167783840

IUPAC2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2ccccc2OCCc2ccccc2)cn1
InChIInChI=1S/C19H18N2O3/c22-19(23)14-21-13-16(12-20-21)17-8-4-5-9-18(17)24-11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2,(H,22,23)
InChIKeyNMHZDPAYLDUXOD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.26
Rot. Bonds7

About 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid

2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid (PubChem CID 167783840) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid
PubChem CID167783840
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2ccccc2OCCc2ccccc2)cn1
InChIInChI=1S/C19H18N2O3/c22-19(23)14-21-13-16(12-20-21)17-8-4-5-9-18(17)24-11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2,(H,22,23)
InChIKeyNMHZDPAYLDUXOD-UHFFFAOYSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid (CID 167783840) is 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(-c2ccccc2OCCc2ccccc2)cn1.
What is the InChIKey of 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid?
The InChIKey is NMHZDPAYLDUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(23)14-21-13-16(12-20-21)17-8-4-5-9-18(17)24-11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2,(H,22,23).
What are the key properties of 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid?
2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid has a molecular weight of 322.36 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-phenylethoxy)phenyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 167783840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).