1-benzyl-3,5-dimethyl-4-nitrosopyrazole

C12H13N3O — CID 12833356

IUPAC1-benzyl-3,5-dimethyl-4-nitrosopyrazole
SMILESCc1nn(Cc2ccccc2)c(C)c1N=O
InChIInChI=1S/C12H13N3O/c1-9-12(14-16)10(2)15(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyYAOCUJFREWDKRQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.95
Rot. Bonds3

About 1-benzyl-3,5-dimethyl-4-nitrosopyrazole

1-benzyl-3,5-dimethyl-4-nitrosopyrazole (PubChem CID 12833356) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-4-nitrosopyrazole.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-4-nitrosopyrazole
PubChem CID12833356
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-benzyl-3,5-dimethyl-4-nitrosopyrazole
SMILESCc1nn(Cc2ccccc2)c(C)c1N=O
InChIInChI=1S/C12H13N3O/c1-9-12(14-16)10(2)15(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyYAOCUJFREWDKRQ-UHFFFAOYSA-N
XLogP2.95
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CID 846914
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 573307
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838
3,5-Dimethyl-4-nitroso-1-phenylpyrazole
CID 12853
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
1-Benzyl-4-nitro-1H-pyrazole
CID 973645
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
CID 4307928
N-benzyl-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 749622
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 2569967
3,5-Dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole
CID 4173461

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-4-nitrosopyrazole?
The IUPAC name of 1-benzyl-3,5-dimethyl-4-nitrosopyrazole (CID 12833356) is 1-benzyl-3,5-dimethyl-4-nitrosopyrazole.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-4-nitrosopyrazole?
The canonical SMILES for 1-benzyl-3,5-dimethyl-4-nitrosopyrazole is Cc1nn(Cc2ccccc2)c(C)c1N=O.
What is the InChIKey of 1-benzyl-3,5-dimethyl-4-nitrosopyrazole?
The InChIKey is YAOCUJFREWDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-12(14-16)10(2)15(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-benzyl-3,5-dimethyl-4-nitrosopyrazole?
1-benzyl-3,5-dimethyl-4-nitrosopyrazole has a molecular weight of 215.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-4-nitrosopyrazole is sourced from PubChem (CID 12833356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).