1,5-dimethyl-3-nitropyrazole

C5H7N3O2 — CID 7017836

IUPAC1,5-dimethyl-3-nitropyrazole
SMILESCc1cc([N+](=O)[O-])nn1C
InChIInChI=1S/C5H7N3O2/c1-4-3-5(8(9)10)6-7(4)2/h3H,1-2H3
InChIKeyKTPNKIOQKXHCMA-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.64
Rot. Bonds1

About 1,5-dimethyl-3-nitropyrazole

1,5-dimethyl-3-nitropyrazole (PubChem CID 7017836) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1,5-dimethyl-3-nitropyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-nitropyrazole
PubChem CID7017836
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1,5-dimethyl-3-nitropyrazole
SMILESCc1cc([N+](=O)[O-])nn1C
InChIInChI=1S/C5H7N3O2/c1-4-3-5(8(9)10)6-7(4)2/h3H,1-2H3
InChIKeyKTPNKIOQKXHCMA-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

(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
CID 1230023
5-Methyl-1-[(5-methyl-3-nitropyrazolyl)methyl]-3-nitropyrazole
CID 1421204
5-methyl-1,3-dinitro-1H-pyrazole
CID 3313444
5-(chloromethyl)-1-methyl-3-nitro-1H-pyrazole
CID 50896693
1,5-dimethyl-3,4-dinitro-1H-pyrazole
CID 3777722
1-(2,2-difluoroethyl)-3-methyl-5-nitro-1H-pyrazole
CID 25247562
1-(difluoromethyl)-5-methyl-3-nitro-1H-pyrazole
CID 50896590
5-((3,3-Difluoroazetidin-1-yl)methyl)-1-methyl-3-nitro-1H-pyrazole
CID 86661232
N,N-dihydroxy-2-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 117647827
1-(Difluoromethyl)-5-ethyl-3-nitropyrazole
CID 162721858
1-[(3,3-Difluorocyclobutyl)methyl]-5-methyl-3-nitropyrazole
CID 171484697
1-(3,3-Difluorocyclobutyl)-5-methyl-3-nitropyrazole
CID 176068250

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-nitropyrazole?
The IUPAC name of 1,5-dimethyl-3-nitropyrazole (CID 7017836) is 1,5-dimethyl-3-nitropyrazole.
What is the SMILES notation for 1,5-dimethyl-3-nitropyrazole?
The canonical SMILES for 1,5-dimethyl-3-nitropyrazole is Cc1cc([N+](=O)[O-])nn1C.
What is the InChIKey of 1,5-dimethyl-3-nitropyrazole?
The InChIKey is KTPNKIOQKXHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-4-3-5(8(9)10)6-7(4)2/h3H,1-2H3.
What are the key properties of 1,5-dimethyl-3-nitropyrazole?
1,5-dimethyl-3-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-3-nitropyrazole is sourced from PubChem (CID 7017836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).