1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one

C11H11N3O2 — CID 13443

IUPAC1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one
SMILESCc1c(N=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C11H11N3O2/c1-8-10(12-16)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyIEODZSWSXNQPQL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.88
Rot. Bonds2

About 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one

1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one (PubChem CID 13443) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one
PubChem CID13443
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one
SMILESCc1c(N=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C11H11N3O2/c1-8-10(12-16)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyIEODZSWSXNQPQL-UHFFFAOYSA-N
XLogP1.88
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Aminopyrine
CID 6009
Antipyrine
CID 2206
Propyphenazone
CID 3778
Methylaminoantipyrine
CID 10618
4-Aminoantipyrine
CID 2151
Ramifenazone
CID 5037
4-Iodoantipyrine
CID 8522
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
4-Hydroxyantipyrine
CID 98889
1-Acetyl-1,5,5-trimethyl-2-phenylsemioxamazide
CID 68214
2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
CID 70371

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one (CID 13443) is 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one is Cc1c(N=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one?
The InChIKey is IEODZSWSXNQPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-10(12-16)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one?
1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one has a molecular weight of 217.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one is sourced from PubChem (CID 13443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).