2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid

C18H15N3O3 — CID 744752

IUPAC2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c22-16(23)11-19-18(24)15-12-21(14-9-5-2-6-10-14)20-17(15)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,24)(H,22,23)
InChIKeyMEMNYHFDFMYORV-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.35
Rot. Bonds5

About 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid

2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 744752) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID744752
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c22-16(23)11-19-18(24)15-12-21(14-9-5-2-6-10-14)20-17(15)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,24)(H,22,23)
InChIKeyMEMNYHFDFMYORV-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid (CID 744752) is 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is MEMNYHFDFMYORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-16(23)11-19-18(24)15-12-21(14-9-5-2-6-10-14)20-17(15)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,24)(H,22,23).
What are the key properties of 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid?
2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 321.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diphenylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 744752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).