5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine

C10H10N4O2 — CID 3122353

IUPAC5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c1-7-9(14(15)16)10(13-12-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13)
InChIKeyBIJGVWVFZFFYII-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.37
Rot. Bonds3

About 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine

5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine (PubChem CID 3122353) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine
PubChem CID3122353
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c1-7-9(14(15)16)10(13-12-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13)
InChIKeyBIJGVWVFZFFYII-UHFFFAOYSA-N
XLogP2.37
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
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

3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 786267
ST001718
CID 608691
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
CID 3759788
(5-methyl-4-nitro-1H-pyrazol-3-yl)-p-cumenyl-amine
CID 3845662
N-(3,4-dimethylphenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
CID 3104735
4-nitro-3-methyl-5-(2-toluidino)-1H-pyrazole
CID 3112947
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine
CID 3122354
5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine
CID 3122355
5-(2,4-dimethylanilino)-4-nitro-3-methyl-1H-pyrazole
CID 4437607
5-Methyl-3-(4-nitro-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10752727
6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-phenylpyridazin-3-amine (5c)
CID 126842785
6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine (5m)
CID 126842794

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine (CID 3122353) is 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine?
The InChIKey is BIJGVWVFZFFYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-9(14(15)16)10(13-12-7)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13).
What are the key properties of 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine?
5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine has a molecular weight of 218.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 3122353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).