3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole

C9H15N3O — CID 10487650

IUPAC3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole
SMILESCc1c(N=O)c(C(C)(C)C)nn1C
InChIInChI=1S/C9H15N3O/c1-6-7(11-13)8(9(2,3)4)10-12(6)5/h1-5H3
InChIKeyPQOIGDUSPJBMMC-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.42
Rot. Bonds1

About 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole

3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole (PubChem CID 10487650) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole.

Molecular Properties

Compound Name3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole
PubChem CID10487650
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole
SMILESCc1c(N=O)c(C(C)(C)C)nn1C
InChIInChI=1S/C9H15N3O/c1-6-7(11-13)8(9(2,3)4)10-12(6)5/h1-5H3
InChIKeyPQOIGDUSPJBMMC-UHFFFAOYSA-N
XLogP2.42
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole?
The IUPAC name of 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole (CID 10487650) is 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole.
What is the SMILES notation for 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole?
The canonical SMILES for 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole is Cc1c(N=O)c(C(C)(C)C)nn1C.
What is the InChIKey of 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole?
The InChIKey is PQOIGDUSPJBMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-7(11-13)8(9(2,3)4)10-12(6)5/h1-5H3.
What are the key properties of 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole?
3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole has a molecular weight of 181.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,5-dimethyl-4-nitrosopyrazole is sourced from PubChem (CID 10487650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).