1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine

C10H8Cl2N4O2 — CID 3450715

IUPAC1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c1-13-10-9(16(17)18)5-14-15(10)8-3-2-6(11)4-7(8)12/h2-5,13H,1H3
InChIKeyKSTDUCRHJXSLPN-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.13
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine

1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine (PubChem CID 3450715) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine
PubChem CID3450715
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c1-13-10-9(16(17)18)5-14-15(10)8-3-2-6(11)4-7(8)12/h2-5,13H,1H3
InChIKeyKSTDUCRHJXSLPN-UHFFFAOYSA-N
XLogP3.13
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.13
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 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-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-(2-fluorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3813351
N-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine
CID 5175735
1-(4-chlorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3608254
1-(2-chlorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3420968
1-(6-chloro-2-pyridinyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3263975
1-(4-fluorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3791257
Nipyraclofen
CID 175845
N-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 13823797
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-4-nitropyrazol-3-amine
CID 13823800
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-N-prop-2-enylpyrazol-5-amine
CID 13823801
2-[2,6-Dichloro-4-(difluoromethyl)phenyl]-4-nitropyrazol-3-amine
CID 14424414
N-[1-(2,4-dichloro-3,5,6-trifluorophenyl)-4-nitropyrazol-5-yl]acetamide
CID 14517408

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine (CID 3450715) is 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine is CNc1c([N+](=O)[O-])cnn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine?
The InChIKey is KSTDUCRHJXSLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c1-13-10-9(16(17)18)5-14-15(10)8-3-2-6(11)4-7(8)12/h2-5,13H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine?
1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine has a molecular weight of 287.11 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 3450715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).