5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole

C10H7ClN4O4 — CID 2172731

IUPAC5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O4/c1-6-9(15(18)19)10(11)13(12-6)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3
InChIKeyYNLZBSNDKBTVFH-UHFFFAOYSA-N
MW282.64 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole

5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole (PubChem CID 2172731) has the molecular formula C10H7ClN4O4 and a molecular weight of 282.64 g/mol. Its IUPAC name is 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
PubChem CID2172731
Molecular FormulaC10H7ClN4O4
Molecular Weight282.64 g/mol
Exact Mass282.02
IUPAC Name5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O4/c1-6-9(15(18)19)10(11)13(12-6)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3
InChIKeyYNLZBSNDKBTVFH-UHFFFAOYSA-N
XLogP2.65
TPSA104.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazole
CID 676927
3,5-Dimethyl-4-nitro-1-phenyl-1H-pyrazole
CID 796703
1-(5-Chloro-2-nitrophenyl)-3,5-dimethylpyrazole
CID 773529
3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole
CID 252929
3,5-Dimethyl-4-nitroso-1-phenylpyrazole
CID 12853
1-(2,4-Dinitrophenyl)-3,5-dimethylpyrazole
CID 344769
Pyrazole, 5-chloro-4-(dimethylamino)-4-methyl-1-phenyl-
CID 210806
5-Chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole
CID 849360
Pyrazole, 3,4,5-trimethyl-1-(2,4-dinitro)phenyl-
CID 15189211
5-Chloro-1-(2,4-dinitrophenyl)-3-trifluoro-methylpyrazole
CID 15548326
3,5-Dimethyl-1-(4-nitrophenyl)-4-[(E)-(2,3,4,5,6-pentafluorophenyl)diazenyl]-1H-pyrazole
CID 139071506
4-bromo-5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole
CID 775681

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The IUPAC name of 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole (CID 2172731) is 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The canonical SMILES for 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The InChIKey is YNLZBSNDKBTVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O4/c1-6-9(15(18)19)10(11)13(12-6)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3.
What are the key properties of 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole has a molecular weight of 282.64 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 2172731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).