5-azido-1,3-dimethyl-4-nitropyrazole

C5H6N6O2 — CID 80583648

IUPAC5-azido-1,3-dimethyl-4-nitropyrazole
SMILESCc1nn(C)c(N=[N+]=[N-])c1[N+](=O)[O-]
InChIInChI=1S/C5H6N6O2/c1-3-4(11(12)13)5(7-9-6)10(2)8-3/h1-2H3
InChIKeyBWIHUVSJIJCMFN-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.58
Rot. Bonds2

About 5-azido-1,3-dimethyl-4-nitropyrazole

5-azido-1,3-dimethyl-4-nitropyrazole (PubChem CID 80583648) has the molecular formula C5H6N6O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 5-azido-1,3-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name5-azido-1,3-dimethyl-4-nitropyrazole
PubChem CID80583648
Molecular FormulaC5H6N6O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name5-azido-1,3-dimethyl-4-nitropyrazole
SMILESCc1nn(C)c(N=[N+]=[N-])c1[N+](=O)[O-]
InChIInChI=1S/C5H6N6O2/c1-3-4(11(12)13)5(7-9-6)10(2)8-3/h1-2H3
InChIKeyBWIHUVSJIJCMFN-UHFFFAOYSA-N
XLogP1.58
TPSA109.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)methyl-(1,3-dimethyl-4-nitropyrazol-5-yl)diazene
CID 90913966
N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide
CID 154085797
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide
CID 12024955
2-azido-3,5-dimethyl-4-nitropyridine
CID 58758112
(1,3-dimethyl-4-nitropyrazol-5-yl) hydrogen carbonate
CID 70473634
2-bromo-1-(1,3-dimethyl-4-nitropyrazol-5-yl)ethanone
CID 45156993
1-(1,3-dimethyl-4-nitropyrazol-5-yl)azepane
CID 47213588
1-(2-azido-4,6-dinitrophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine
CID 11450762
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethyl carbamate
CID 83205028
N-(1-methoxy-3-methylbutan-2-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
CID 65047948
disodium bis([1-[2-(5-azido-3,4-dinitropyrazol-1-yl)ethyl]tetrazol-5-yl]-nitroazanide)
CID 139177785

Frequently Asked Questions

What is the IUPAC name of 5-azido-1,3-dimethyl-4-nitropyrazole?
The IUPAC name of 5-azido-1,3-dimethyl-4-nitropyrazole (CID 80583648) is 5-azido-1,3-dimethyl-4-nitropyrazole.
What is the SMILES notation for 5-azido-1,3-dimethyl-4-nitropyrazole?
The canonical SMILES for 5-azido-1,3-dimethyl-4-nitropyrazole is Cc1nn(C)c(N=[N+]=[N-])c1[N+](=O)[O-].
What is the InChIKey of 5-azido-1,3-dimethyl-4-nitropyrazole?
The InChIKey is BWIHUVSJIJCMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O2/c1-3-4(11(12)13)5(7-9-6)10(2)8-3/h1-2H3.
What are the key properties of 5-azido-1,3-dimethyl-4-nitropyrazole?
5-azido-1,3-dimethyl-4-nitropyrazole has a molecular weight of 182.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1,3-dimethyl-4-nitropyrazole is sourced from PubChem (CID 80583648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).