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

C17H15N3O — CID 154148150

IUPAC3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole
SMILESCc1c(N=O)c(Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-13-17(19-21)16(12-14-8-4-2-5-9-14)18-20(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyDJWNWIKASFWVLL-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.17
Rot. Bonds4

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

3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole (PubChem CID 154148150) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole.

Molecular Properties

Compound Name3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole
PubChem CID154148150
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole
SMILESCc1c(N=O)c(Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-13-17(19-21)16(12-14-8-4-2-5-9-14)18-20(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyDJWNWIKASFWVLL-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

5-benzyl-3-methyl-4-nitroso-1-phenylpyrazole
CID 154121166
(4-chloro-5-methyl-1-phenylpyrazol-3-yl)methanol
CID 118148435
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
CID 1478286
3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
CID 10638735
5-benzyl-1-phenylpyrazole
CID 14003889
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine
CID 155672832
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]benzoate
CID 7403952
(4-hydroxy-5-methyl-1-phenylpyrazol-3-yl)methanetriol
CID 91517033
3-benzyl-4-ethyl-1-methylpyrazole
CID 121277938
3-benzyl-2-phenylindazole
CID 25217782

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole?
The IUPAC name of 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole (CID 154148150) is 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole.
What is the SMILES notation for 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole?
The canonical SMILES for 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole is Cc1c(N=O)c(Cc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole?
The InChIKey is DJWNWIKASFWVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13-17(19-21)16(12-14-8-4-2-5-9-14)18-20(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole?
3-benzyl-5-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 3-benzyl-5-methyl-4-nitroso-1-phenylpyrazole is sourced from PubChem (CID 154148150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).