3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole

C13H15N3O — CID 118191365

IUPAC3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole
SMILESCc1ccc(Cn2nc(C)c(N=O)c2C)cc1
InChIInChI=1S/C13H15N3O/c1-9-4-6-12(7-5-9)8-16-11(3)13(15-17)10(2)14-16/h4-7H,8H2,1-3H3
InChIKeyGUWPKGRHGWPNPG-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.25
Rot. Bonds3

About 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole

3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole (PubChem CID 118191365) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole
PubChem CID118191365
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole
SMILESCc1ccc(Cn2nc(C)c(N=O)c2C)cc1
InChIInChI=1S/C13H15N3O/c1-9-4-6-12(7-5-9)8-16-11(3)13(15-17)10(2)14-16/h4-7H,8H2,1-3H3
InChIKeyGUWPKGRHGWPNPG-UHFFFAOYSA-N
XLogP3.25
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-[(4-methylsulfonylphenyl)methyl]-4-nitrosopyrazole
CID 123924694
[4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol
CID 123917738
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
CID 43531725
1-[(4-bromophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole
CID 7017380
5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023235
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoic acid
CID 3838115
5-[(1-benzyl-3,5-dimethylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 137120832
5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023029
1-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(3,5-dimethylphenyl)urea
CID 17374877
N-[(Z)-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175162

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole?
The IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole (CID 118191365) is 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole?
The canonical SMILES for 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole is Cc1ccc(Cn2nc(C)c(N=O)c2C)cc1.
What is the InChIKey of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole?
The InChIKey is GUWPKGRHGWPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-6-12(7-5-9)8-16-11(3)13(15-17)10(2)14-16/h4-7H,8H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole?
3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole has a molecular weight of 229.28 g/mol, XLogP of 3.25, 3 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-methylphenyl)methyl]-4-nitrosopyrazole is sourced from PubChem (CID 118191365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).