1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole

C10H7BrClN3O2 — CID 66021174

IUPAC1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole
SMILESCc1nn(-c2cccc(Br)c2)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H7BrClN3O2/c1-6-9(15(16)17)10(12)14(13-6)8-4-2-3-7(11)5-8/h2-5H,1H3
InChIKeySODXZUYTBVFLEP-UHFFFAOYSA-N
MW316.54 g/mol
LogP3.50
Rot. Bonds2

About 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole

1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole (PubChem CID 66021174) has the molecular formula C10H7BrClN3O2 and a molecular weight of 316.54 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole
PubChem CID66021174
Molecular FormulaC10H7BrClN3O2
Molecular Weight316.54 g/mol
Exact Mass314.94
IUPAC Name1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole
SMILESCc1nn(-c2cccc(Br)c2)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H7BrClN3O2/c1-6-9(15(16)17)10(12)14(13-6)8-4-2-3-7(11)5-8/h2-5H,1H3
InChIKeySODXZUYTBVFLEP-UHFFFAOYSA-N
XLogP3.50
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
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

5-chloro-4-ethyl-3-methyl-1-(3-nitrophenyl)pyrazole
CID 66020540
3-chloro-6-(5-chloro-3-methyl-4-nitropyrazol-1-yl)pyridazine
CID 66021341
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
3-(5-chloro-4-nitro-3-propylpyrazol-1-yl)benzonitrile
CID 66021591
1-(3-bromophenyl)-5-chloro-3-(methoxymethyl)pyrazole-4-carboxylic acid
CID 62320459
1-(4-bromo-2-methylphenyl)-5-chloro-3-(2-methylpropyl)-4-nitropyrazole
CID 104509038
5-bromo-2-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoic acid
CID 114896055
1-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61270772
1-(3-bromophenyl)-4-nitropyrazole-3-carboxamide
CID 138694686
5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 29259929
1-(5-bromo-2-pyridinyl)-3-methyl-4-nitropyrazol-5-amine
CID 65347634
N-ethyl-3-methyl-4-nitro-1-phenylpyrazol-5-amine
CID 2802412

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole?
The IUPAC name of 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole (CID 66021174) is 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole.
What is the SMILES notation for 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole?
The canonical SMILES for 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole is Cc1nn(-c2cccc(Br)c2)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole?
The InChIKey is SODXZUYTBVFLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O2/c1-6-9(15(16)17)10(12)14(13-6)8-4-2-3-7(11)5-8/h2-5H,1H3.
What are the key properties of 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole?
1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole has a molecular weight of 316.54 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole is sourced from PubChem (CID 66021174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).