4-amino-3,4-diphenyl-1H-pyrazol-5-one

C15H13N3O — CID 13014951

IUPAC4-amino-3,4-diphenyl-1H-pyrazol-5-one
SMILESNC1(c2ccccc2)C(=O)NN=C1c1ccccc1
InChIInChI=1S/C15H13N3O/c16-15(12-9-5-2-6-10-12)13(17-18-14(15)19)11-7-3-1-4-8-11/h1-10H,16H2,(H,18,19)
InChIKeyYLMXKTYHFMTHKU-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.37
Rot. Bonds2

About 4-amino-3,4-diphenyl-1H-pyrazol-5-one

4-amino-3,4-diphenyl-1H-pyrazol-5-one (PubChem CID 13014951) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-3,4-diphenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-amino-3,4-diphenyl-1H-pyrazol-5-one
PubChem CID13014951
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-amino-3,4-diphenyl-1H-pyrazol-5-one
SMILESNC1(c2ccccc2)C(=O)NN=C1c1ccccc1
InChIInChI=1S/C15H13N3O/c16-15(12-9-5-2-6-10-12)13(17-18-14(15)19)11-7-3-1-4-8-11/h1-10H,16H2,(H,18,19)
InChIKeyYLMXKTYHFMTHKU-UHFFFAOYSA-N
XLogP1.37
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,4-diphenyl-1H-pyrazol-5-one?
The IUPAC name of 4-amino-3,4-diphenyl-1H-pyrazol-5-one (CID 13014951) is 4-amino-3,4-diphenyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-amino-3,4-diphenyl-1H-pyrazol-5-one?
The canonical SMILES for 4-amino-3,4-diphenyl-1H-pyrazol-5-one is NC1(c2ccccc2)C(=O)NN=C1c1ccccc1.
What is the InChIKey of 4-amino-3,4-diphenyl-1H-pyrazol-5-one?
The InChIKey is YLMXKTYHFMTHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-15(12-9-5-2-6-10-12)13(17-18-14(15)19)11-7-3-1-4-8-11/h1-10H,16H2,(H,18,19).
What are the key properties of 4-amino-3,4-diphenyl-1H-pyrazol-5-one?
4-amino-3,4-diphenyl-1H-pyrazol-5-one has a molecular weight of 251.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,4-diphenyl-1H-pyrazol-5-one is sourced from PubChem (CID 13014951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).