3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine

C11H11ClN4O2 — CID 63658949

IUPAC3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2c(Cl)cccc2[N+](=O)[O-])nn(C)c1N
InChIInChI=1S/C11H11ClN4O2/c1-6-10(14-15(2)11(6)13)9-7(12)4-3-5-8(9)16(17)18/h3-5H,13H2,1-2H3
InChIKeyVJKSFIUGYXIITD-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.54
Rot. Bonds2

About 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine

3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine (PubChem CID 63658949) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine
PubChem CID63658949
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2c(Cl)cccc2[N+](=O)[O-])nn(C)c1N
InChIInChI=1S/C11H11ClN4O2/c1-6-10(14-15(2)11(6)13)9-7(12)4-3-5-8(9)16(17)18/h3-5H,13H2,1-2H3
InChIKeyVJKSFIUGYXIITD-UHFFFAOYSA-N
XLogP2.54
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.54
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'}

Analyze 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine 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

1-chloro-2-methyl-3-nitrobenzene
CID 6740
[5-(2-chloro-6-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112594002
[5-(2-chloro-6-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 113301772
1-(2-chloro-6-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943145
1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032
4-chloro-5-(2-chloro-6-nitrophenyl)-1,2-oxazol-3-amine
CID 79557797
3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
CID 43158813
2-(2-chloro-6-nitrophenyl)-5-iodo-1,3,4-thiadiazole
CID 63660058
3-(bromomethyl)-5-(2-chloro-6-nitrophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115400137
3-(chloromethyl)-5-(2-chloro-6-nitrophenyl)-4-propan-2-yl-1,2,4-triazole
CID 115397686
3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine
CID 71514034
2-(4-chlorophenyl)-1-methyl-3-nitrobenzene
CID 139898701

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine (CID 63658949) is 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine is Cc1c(-c2c(Cl)cccc2[N+](=O)[O-])nn(C)c1N.
What is the InChIKey of 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is VJKSFIUGYXIITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-6-10(14-15(2)11(6)13)9-7(12)4-3-5-8(9)16(17)18/h3-5H,13H2,1-2H3.
What are the key properties of 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine?
3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 266.69 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 63658949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).