1-methyl-4-nitro-5-phenylpyrazol-3-amine

C10H10N4O2 — CID 83821863

IUPAC1-methyl-4-nitro-5-phenylpyrazol-3-amine
SMILESCn1nc(N)c([N+](=O)[O-])c1-c1ccccc1
InChIInChI=1S/C10H10N4O2/c1-13-8(7-5-3-2-4-6-7)9(14(15)16)10(11)12-13/h2-6H,1H3,(H2,11,12)
InChIKeyQGDJOTJEXBZPER-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.58
Rot. Bonds2

About 1-methyl-4-nitro-5-phenylpyrazol-3-amine

1-methyl-4-nitro-5-phenylpyrazol-3-amine (PubChem CID 83821863) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-methyl-4-nitro-5-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-nitro-5-phenylpyrazol-3-amine
PubChem CID83821863
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-methyl-4-nitro-5-phenylpyrazol-3-amine
SMILESCn1nc(N)c([N+](=O)[O-])c1-c1ccccc1
InChIInChI=1S/C10H10N4O2/c1-13-8(7-5-3-2-4-6-7)9(14(15)16)10(11)12-13/h2-6H,1H3,(H2,11,12)
InChIKeyQGDJOTJEXBZPER-UHFFFAOYSA-N
XLogP1.58
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.58
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-2-(2-nitrophenyl)-4,5-diphenylimidazole
CID 91262383
1-(1,2-dimethyl-4-nitro-5-phenylpyrrol-3-yl)ethanone
CID 14616642
methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
CID 139060722
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine
CID 12661221
1,3-dimethyl-5-(5-methyl-3-phenylpyrazol-1-yl)-4-nitropyrazole
CID 177460733
1-(4-nitrophenyl)-3,4,5-triphenylpyrazole
CID 59515058
1-(2-amino-3-nitroquinolin-4-yl)ethanone
CID 19034766
6-nitro-3-phenylpyridin-2-amine
CID 119007149
4-nitro-3,5-diphenyl-1,2-oxazole
CID 5023418
1,2,3,4-tetranitro-5-(2,3,4,5,6-pentanitrophenyl)-6-phenylbenzene
CID 22253780
3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 135370970

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-5-phenylpyrazol-3-amine?
The IUPAC name of 1-methyl-4-nitro-5-phenylpyrazol-3-amine (CID 83821863) is 1-methyl-4-nitro-5-phenylpyrazol-3-amine.
What is the SMILES notation for 1-methyl-4-nitro-5-phenylpyrazol-3-amine?
The canonical SMILES for 1-methyl-4-nitro-5-phenylpyrazol-3-amine is Cn1nc(N)c([N+](=O)[O-])c1-c1ccccc1.
What is the InChIKey of 1-methyl-4-nitro-5-phenylpyrazol-3-amine?
The InChIKey is QGDJOTJEXBZPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-13-8(7-5-3-2-4-6-7)9(14(15)16)10(11)12-13/h2-6H,1H3,(H2,11,12).
What are the key properties of 1-methyl-4-nitro-5-phenylpyrazol-3-amine?
1-methyl-4-nitro-5-phenylpyrazol-3-amine has a molecular weight of 218.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-5-phenylpyrazol-3-amine is sourced from PubChem (CID 83821863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).