N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine

C10H9BrN4O2 — CID 3759788

IUPACN-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccc(Br)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H9BrN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13,14)
InChIKeyICLCJLQPWWMXKF-UHFFFAOYSA-N
MW297.11 g/mol
LogP3.13
Rot. Bonds3

About N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine

N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine (PubChem CID 3759788) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
PubChem CID3759788
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC NameN-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccc(Br)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H9BrN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13,14)
InChIKeyICLCJLQPWWMXKF-UHFFFAOYSA-N
XLogP3.13
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 53.13
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

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-methyl-4-nitro-N-phenyl-1H-pyrazol-3-amine
CID 3122353
N-(4-Bromophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)pyridazin-3-amine (5i)
CID 126842791
5-Methyl-N3-phenyl-1H-pyrazole-3,4-diamine
CID 28064358
N-(2-Fluorophenyl)-5-methyl-4-nitro-2H-pyrazol-3-amine
CID 3122361
4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole
CID 3112950
N-(2-chlorophenyl)-3-methyl-4-nitro-1H-pyrazol-5-amine
CID 3122358
Cambridge id 5283219
CID 3122359
4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine
CID 4691307
5-hydrazino-4-nitro-3-methyl-1-phenyl-1H-pyrazole
CID 13101612

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The IUPAC name of N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine (CID 3759788) is N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The canonical SMILES for N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2ccc(Br)cc2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The InChIKey is ICLCJLQPWWMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13,14).
What are the key properties of N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine has a molecular weight of 297.11 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 3759788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).