1-methyl-3-nitropyrazol-5-amine

C4H6N4O2 — CID 14614016

IUPAC1-methyl-3-nitropyrazol-5-amine
SMILESCn1nc([N+](=O)[O-])cc1N
InChIInChI=1S/C4H6N4O2/c1-7-3(5)2-4(6-7)8(9)10/h2H,5H2,1H3
InChIKeyLUEQETBVSBNKFY-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.09
Rot. Bonds1

About 1-methyl-3-nitropyrazol-5-amine

1-methyl-3-nitropyrazol-5-amine (PubChem CID 14614016) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 1-methyl-3-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-nitropyrazol-5-amine
PubChem CID14614016
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name1-methyl-3-nitropyrazol-5-amine
SMILESCn1nc([N+](=O)[O-])cc1N
InChIInChI=1S/C4H6N4O2/c1-7-3(5)2-4(6-7)8(9)10/h2H,5H2,1H3
InChIKeyLUEQETBVSBNKFY-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-ethyl-3-nitropyrazol-5-amine
CID 146680468
1-butyl-3-nitropyrazol-5-amine
CID 154881784
2-(1-methyl-3-nitropyrazol-5-yl)acetic acid
CID 50896684
4-chloro-6-(1-methyl-3-nitropyrazol-5-yl)pyrimidine
CID 172581414
3-ethoxy-1-methyl-5-nitropyrazole;1-methyl-3,5-dinitropyrazole
CID 157442244
methyl 3-nitro-1-(trideuteriomethyl)pyrazole-5-carboxylate
CID 164588672
2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol
CID 136942215
2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol
CID 136942216
N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine
CID 122171512
3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
CID 117419260
5-[(4-methoxyphenoxy)methyl]-1-methyl-3-nitropyrazole
CID 71833040
3-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyaniline
CID 54908951

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nitropyrazol-5-amine?
The IUPAC name of 1-methyl-3-nitropyrazol-5-amine (CID 14614016) is 1-methyl-3-nitropyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-nitropyrazol-5-amine?
The canonical SMILES for 1-methyl-3-nitropyrazol-5-amine is Cn1nc([N+](=O)[O-])cc1N.
What is the InChIKey of 1-methyl-3-nitropyrazol-5-amine?
The InChIKey is LUEQETBVSBNKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-7-3(5)2-4(6-7)8(9)10/h2H,5H2,1H3.
What are the key properties of 1-methyl-3-nitropyrazol-5-amine?
1-methyl-3-nitropyrazol-5-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-3-nitropyrazol-5-amine is sourced from PubChem (CID 14614016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).