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

C13H21N3O — CID 123436089

IUPAC3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole
SMILESCc1nn(CC2CCC(C)CC2)c(C)c1N=O
InChIInChI=1S/C13H21N3O/c1-9-4-6-12(7-5-9)8-16-11(3)13(15-17)10(2)14-16/h9,12H,4-8H2,1-3H3
InChIKeyCGNMOUUOTNKNTO-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.72
Rot. Bonds3

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

3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole (PubChem CID 123436089) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole
PubChem CID123436089
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole
SMILESCc1nn(CC2CCC(C)CC2)c(C)c1N=O
InChIInChI=1S/C13H21N3O/c1-9-4-6-12(7-5-9)8-16-11(3)13(15-17)10(2)14-16/h9,12H,4-8H2,1-3H3
InChIKeyCGNMOUUOTNKNTO-UHFFFAOYSA-N
XLogP3.72
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole?
The IUPAC name of 3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole (CID 123436089) is 3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole?
The canonical SMILES for 3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole is Cc1nn(CC2CCC(C)CC2)c(C)c1N=O.
What is the InChIKey of 3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole?
The InChIKey is CGNMOUUOTNKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-6-12(7-5-9)8-16-11(3)13(15-17)10(2)14-16/h9,12H,4-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole?
3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole has a molecular weight of 235.33 g/mol, XLogP of 3.72, 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-methylcyclohexyl)methyl]-4-nitrosopyrazole is sourced from PubChem (CID 123436089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).