2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid

C23H20N4O2 — CID 168965601

IUPAC2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid
SMILESO=C(O)CNc1cc(-c2ccccc2)cc(-c2ccn(Cc3cccnc3)n2)c1
InChIInChI=1S/C23H20N4O2/c28-23(29)15-25-21-12-19(18-6-2-1-3-7-18)11-20(13-21)22-8-10-27(26-22)16-17-5-4-9-24-14-17/h1-14,25H,15-16H2,(H,28,29)
InChIKeyUMFREVZARBYQCJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.16
Rot. Bonds7

About 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid

2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid (PubChem CID 168965601) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid.

Molecular Properties

Compound Name2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid
PubChem CID168965601
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid
SMILESO=C(O)CNc1cc(-c2ccccc2)cc(-c2ccn(Cc3cccnc3)n2)c1
InChIInChI=1S/C23H20N4O2/c28-23(29)15-25-21-12-19(18-6-2-1-3-7-18)11-20(13-21)22-8-10-27(26-22)16-17-5-4-9-24-14-17/h1-14,25H,15-16H2,(H,28,29)
InChIKeyUMFREVZARBYQCJ-UHFFFAOYSA-N
XLogP4.16
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
2-[[[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]methylamino]methyl]prop-2-enal
CID 170003197
3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide
CID 169043428
1-[2-phenyl-4-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]prop-2-en-1-one
CID 169130130
4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 28664911
3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
CID 169043311
2-[4-(1-methylpyrazol-3-yl)-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]ethanesulfonic acid
CID 169043322
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine
CID 168965374
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
4-benzyl-N-[2-(methylaminosulfanyl)ethyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]aniline
CID 168965296

Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid?
The IUPAC name of 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid (CID 168965601) is 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid.
What is the SMILES notation for 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid?
The canonical SMILES for 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid is O=C(O)CNc1cc(-c2ccccc2)cc(-c2ccn(Cc3cccnc3)n2)c1.
What is the InChIKey of 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid?
The InChIKey is UMFREVZARBYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-23(29)15-25-21-12-19(18-6-2-1-3-7-18)11-20(13-21)22-8-10-27(26-22)16-17-5-4-9-24-14-17/h1-14,25H,15-16H2,(H,28,29).
What are the key properties of 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid?
2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid has a molecular weight of 384.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid is sourced from PubChem (CID 168965601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).