5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole

C17H15N3O — CID 154121166

IUPAC5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(Cc2ccccc2)c1N=O
InChIInChI=1S/C17H15N3O/c1-13-17(19-21)16(12-14-8-4-2-5-9-14)20(18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyOLDYRJCZWAYGHS-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.17
Rot. Bonds4

About 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole

5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole (PubChem CID 154121166) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole.

Molecular Properties

Compound Name5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole
PubChem CID154121166
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(Cc2ccccc2)c1N=O
InChIInChI=1S/C17H15N3O/c1-13-17(19-21)16(12-14-8-4-2-5-9-14)20(18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyOLDYRJCZWAYGHS-UHFFFAOYSA-N
XLogP4.17
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole
CID 154148150
3-benzyl-2-phenylindazole
CID 25217782
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 12826132
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
CID 1478286
5-benzyl-1-phenylpyrazole
CID 14003889
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine
CID 46567036
5-benzyl-1,4-dimethylpyrazole
CID 126758584
4-(2-chloroacetyl)-3-methyl-1-phenylpyrazole-5-carbaldehyde
CID 174367620
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole?
The IUPAC name of 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole (CID 154121166) is 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole.
What is the SMILES notation for 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole?
The canonical SMILES for 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(Cc2ccccc2)c1N=O.
What is the InChIKey of 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole?
The InChIKey is OLDYRJCZWAYGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13-17(19-21)16(12-14-8-4-2-5-9-14)20(18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole?
5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole has a molecular weight of 277.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole is sourced from PubChem (CID 154121166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).