1-methyl-5-nitropyrazol-4-amine

C4H6N4O2 — CID 588333

IUPAC1-methyl-5-nitropyrazol-4-amine
SMILESCn1ncc(N)c1[N+](=O)[O-]
InChIInChI=1S/C4H6N4O2/c1-7-4(8(9)10)3(5)2-6-7/h2H,5H2,1H3
InChIKeyDZHKSYCPRIBWJJ-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.09
Rot. Bonds1

About 1-methyl-5-nitropyrazol-4-amine

1-methyl-5-nitropyrazol-4-amine (PubChem CID 588333) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 1-methyl-5-nitropyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-nitropyrazol-4-amine
PubChem CID588333
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name1-methyl-5-nitropyrazol-4-amine
SMILESCn1ncc(N)c1[N+](=O)[O-]
InChIInChI=1S/C4H6N4O2/c1-7-4(8(9)10)3(5)2-6-7/h2H,5H2,1H3
InChIKeyDZHKSYCPRIBWJJ-UHFFFAOYSA-N
XLogP-0.09
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
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

1-methyl-4-nitro-1H-pyrazole
CID 19895
1-methyl-3,4-dinitro-1H-pyrazole
CID 7172355
N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3373642
1-Methyl-4-nitro-1H-pyrazol-5-amine
CID 588382
1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034
1-(Methyl-D3)-4-nitro-1H-pyrazole
CID 71743617
1-Methyl-1H-pyrazole-4,5-diamine
CID 10290764
1-Methyl-3-nitro-1H-pyrazol-4-amine
CID 588356
1-Ethyl-4-nitrosopyrazol-5-amine;hydrochloride
CID 353773
1-ethyl-4-nitroso-1H-pyrazol-5-amine
CID 353774
1-cyclohexyl-4-nitro-1H-pyrazol-5-amine
CID 61732847
1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone
CID 3953946

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitropyrazol-4-amine?
The IUPAC name of 1-methyl-5-nitropyrazol-4-amine (CID 588333) is 1-methyl-5-nitropyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-nitropyrazol-4-amine?
The canonical SMILES for 1-methyl-5-nitropyrazol-4-amine is Cn1ncc(N)c1[N+](=O)[O-].
What is the InChIKey of 1-methyl-5-nitropyrazol-4-amine?
The InChIKey is DZHKSYCPRIBWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-7-4(8(9)10)3(5)2-6-7/h2H,5H2,1H3.
What are the key properties of 1-methyl-5-nitropyrazol-4-amine?
1-methyl-5-nitropyrazol-4-amine has a molecular weight of 142.12 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitropyrazol-4-amine is sourced from PubChem (CID 588333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).