2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile

C8H10N4O2 — CID 165385612

IUPAC2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile
SMILESCc1c([N+](=O)[O-])cnn1C(C)(C)C#N
InChIInChI=1S/C8H10N4O2/c1-6-7(12(13)14)4-10-11(6)8(2,3)5-9/h4H,1-3H3
InChIKeyOAZZEIVLALRCBL-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.36
Rot. Bonds2

About 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile

2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile (PubChem CID 165385612) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile
PubChem CID165385612
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile
SMILESCc1c([N+](=O)[O-])cnn1C(C)(C)C#N
InChIInChI=1S/C8H10N4O2/c1-6-7(12(13)14)4-10-11(6)8(2,3)5-9/h4H,1-3H3
InChIKeyOAZZEIVLALRCBL-UHFFFAOYSA-N
XLogP1.36
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanoate
CID 129353772
2-(4-tert-butyl-5-methylpyrazol-1-yl)-2-methylpropanenitrile
CID 165385872
5-methyl-4-nitropyrazole-1-carboxylic acid
CID 90039126
1-(difluoromethyl)-5-methyl-4-nitropyrazole
CID 50896628
5-methyl-1-(2-methylpropyl)-4-nitropyrazole
CID 23088343
tert-butyl 2-(5-methyl-4-nitropyrazol-1-yl)acetate
CID 169448587
2-methyl-2-[4-(3-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 63343699
2-methyl-2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 60677904
2-methyl-2-[4-(4-methyl-2-nitrophenyl)piperazin-1-yl]propanenitrile
CID 63344088
5-methyl-1-(4-methylsulfonylphenyl)-4-nitropyrazole
CID 69093432
(2S)-2-amino-2-(2-nitrophenyl)propanenitrile
CID 130719593
5-methyl-4-nitro-1-(oxetan-3-ylmethyl)pyrazole
CID 118288854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile (CID 165385612) is 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile is Cc1c([N+](=O)[O-])cnn1C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile?
The InChIKey is OAZZEIVLALRCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-6-7(12(13)14)4-10-11(6)8(2,3)5-9/h4H,1-3H3.
What are the key properties of 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile?
2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile has a molecular weight of 194.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanenitrile is sourced from PubChem (CID 165385612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).