1,5-dimethyl-4-nitropyrazole

C5H7N3O2 — CID 544647

IUPAC1,5-dimethyl-4-nitropyrazole
SMILESCc1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C5H7N3O2/c1-4-5(8(9)10)3-6-7(4)2/h3H,1-2H3
InChIKeyNYTRTJLAGHYGLE-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.64
Rot. Bonds1

About 1,5-dimethyl-4-nitropyrazole

1,5-dimethyl-4-nitropyrazole (PubChem CID 544647) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1,5-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name1,5-dimethyl-4-nitropyrazole
PubChem CID544647
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1,5-dimethyl-4-nitropyrazole
SMILESCc1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C5H7N3O2/c1-4-5(8(9)10)3-6-7(4)2/h3H,1-2H3
InChIKeyNYTRTJLAGHYGLE-UHFFFAOYSA-N
XLogP0.64
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-methyl-4-nitro-1H-pyrazole
CID 19895
1,5-dimethyl-1H-pyrazol-4-amine
CID 573813
1,3-Dimethyl-4-nitro-1H-pyrazole
CID 702892
3-Methyl-1,4-dinitropyrazole
CID 3994418
Bis(2-chloroethyl)-methyl-[(1-methyl-4-nitropyrazol-5-yl)methyl]azanium chloride
CID 11012984
2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid
CID 4715185
4-isothiocyanato-1,3-dimethyl-1H-pyrazole
CID 7017488
1-(Methyl-D3)-4-nitro-1H-pyrazole
CID 71743617
3-(chloromethyl)-1-methyl-4-nitro-1H-pyrazole
CID 137944970
1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile
CID 535951
1-methyl-4-nitro-1H-pyrazole-5-carbonitrile
CID 1548563
4-isothiocyanato-1,5-dimethyl-1H-pyrazole
CID 7017564

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-nitropyrazole?
The IUPAC name of 1,5-dimethyl-4-nitropyrazole (CID 544647) is 1,5-dimethyl-4-nitropyrazole.
What is the SMILES notation for 1,5-dimethyl-4-nitropyrazole?
The canonical SMILES for 1,5-dimethyl-4-nitropyrazole is Cc1c([N+](=O)[O-])cnn1C.
What is the InChIKey of 1,5-dimethyl-4-nitropyrazole?
The InChIKey is NYTRTJLAGHYGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-4-5(8(9)10)3-6-7(4)2/h3H,1-2H3.
What are the key properties of 1,5-dimethyl-4-nitropyrazole?
1,5-dimethyl-4-nitropyrazole has a molecular weight of 141.13 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-nitropyrazole is sourced from PubChem (CID 544647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).