5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one

C10H9N3O2 — CID 608928

IUPAC5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1N=O
InChIInChI=1S/C10H9N3O2/c1-7-9(12-15)10(14)13(11-7)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKeyDTYABAPGESPUEA-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.87
Rot. Bonds2

About 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one

5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one (PubChem CID 608928) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one
PubChem CID608928
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1N=O
InChIInChI=1S/C10H9N3O2/c1-7-9(12-15)10(14)13(11-7)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKeyDTYABAPGESPUEA-UHFFFAOYSA-N
XLogP1.87
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one (CID 608928) is 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1N=O.
What is the InChIKey of 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one?
The InChIKey is DTYABAPGESPUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-9(12-15)10(14)13(11-7)8-5-3-2-4-6-8/h2-6,11H,1H3.
What are the key properties of 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one?
5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one has a molecular weight of 203.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 608928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).