3,5-dimethyl-1-(4-nitrosophenyl)pyrazole

C11H11N3O — CID 129109952

IUPAC3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
SMILESCc1cc(C)n(-c2ccc(N=O)cc2)n1
InChIInChI=1S/C11H11N3O/c1-8-7-9(2)14(12-8)11-5-3-10(13-15)4-6-11/h3-7H,1-2H3
InChIKeyQVROPVIBOGJYLA-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.89
Rot. Bonds2

About 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole

3,5-dimethyl-1-(4-nitrosophenyl)pyrazole (PubChem CID 129109952) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
PubChem CID129109952
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
SMILESCc1cc(C)n(-c2ccc(N=O)cc2)n1
InChIInChI=1S/C11H11N3O/c1-8-7-9(2)14(12-8)11-5-3-10(13-15)4-6-11/h3-7H,1-2H3
InChIKeyQVROPVIBOGJYLA-UHFFFAOYSA-N
XLogP2.89
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-azidophenyl)-3,5-dimethylpyrazole
CID 150446996
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate
CID 22086549
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
4-(3,5-dimethylpyrazol-1-yl)-N-hydroxybenzeneamine oxide
CID 163118514
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
CID 4962802
1-[4-(2-azidoethyl)phenyl]-3,5-dimethylpyrazole
CID 22244617
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
1-[2-amino-4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104529170
2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
CID 82512795

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole (CID 129109952) is 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole is Cc1cc(C)n(-c2ccc(N=O)cc2)n1.
What is the InChIKey of 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole?
The InChIKey is QVROPVIBOGJYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-7-9(2)14(12-8)11-5-3-10(13-15)4-6-11/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole?
3,5-dimethyl-1-(4-nitrosophenyl)pyrazole has a molecular weight of 201.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-nitrosophenyl)pyrazole is sourced from PubChem (CID 129109952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).