1,3,5-trimethyl-4-nitrosopyrazole

C6H9N3O — CID 15669009

IUPAC1,3,5-trimethyl-4-nitrosopyrazole
SMILESCc1nn(C)c(C)c1N=O
InChIInChI=1S/C6H9N3O/c1-4-6(8-10)5(2)9(3)7-4/h1-3H3
InChIKeyJBPHKIGSCXZTPN-UHFFFAOYSA-N
MW139.16 g/mol
LogP1.43
Rot. Bonds1

About 1,3,5-trimethyl-4-nitrosopyrazole

1,3,5-trimethyl-4-nitrosopyrazole (PubChem CID 15669009) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-nitrosopyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-nitrosopyrazole
PubChem CID15669009
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1,3,5-trimethyl-4-nitrosopyrazole
SMILESCc1nn(C)c(C)c1N=O
InChIInChI=1S/C6H9N3O/c1-4-6(8-10)5(2)9(3)7-4/h1-3H3
InChIKeyJBPHKIGSCXZTPN-UHFFFAOYSA-N
XLogP1.43
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-1H-pyrazol-4-amine
CID 161603
1-ethyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 1125228
1,3,5-Trimethyl-4-nitro-1H-pyrazole
CID 121019
1H-Pyrazole, 4-(dimethylamino)-1,3,5-trimethyl-
CID 206692
3,5-Dimethyl-1-(1-methylethyl)-1H-pyrazol-4-amine
CID 3031275
1‐isopropyl‐3,5‐dimethyl‐4‐nitrosopyrazole (Substrate 9)
CID 2827603
2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)acetaldehyde oxime
CID 9583526
1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
CID 96507
4-Isocyanato-1,3,5-trimethyl-1H-pyrazole
CID 7164550
Cyanoimino-oxido-(1,3,5-trimethylpyrazol-4-yl)azanium
CID 54584834
5-(difluoromethyl)-1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 132586028
1,3,5-Trimethyl-4-(sulfinoamino)pyrazole
CID 89091247

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-nitrosopyrazole?
The IUPAC name of 1,3,5-trimethyl-4-nitrosopyrazole (CID 15669009) is 1,3,5-trimethyl-4-nitrosopyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-nitrosopyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-nitrosopyrazole is Cc1nn(C)c(C)c1N=O.
What is the InChIKey of 1,3,5-trimethyl-4-nitrosopyrazole?
The InChIKey is JBPHKIGSCXZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-6(8-10)5(2)9(3)7-4/h1-3H3.
What are the key properties of 1,3,5-trimethyl-4-nitrosopyrazole?
1,3,5-trimethyl-4-nitrosopyrazole has a molecular weight of 139.16 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-nitrosopyrazole is sourced from PubChem (CID 15669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).