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

C10H8Cl2N4O2 — CID 3104737

IUPACN-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H8Cl2N4O2/c1-5-9(16(17)18)10(15-14-5)13-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14,15)
InChIKeyDHRWLRGJFSWHQB-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.68
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine (PubChem CID 3104737) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
PubChem CID3104737
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC NameN-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H8Cl2N4O2/c1-5-9(16(17)18)10(15-14-5)13-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14,15)
InChIKeyDHRWLRGJFSWHQB-UHFFFAOYSA-N
XLogP3.68
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.68
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

N-(3,4-dimethylphenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
CID 3104735
4-N-(3,4-dichlorophenyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485511
4-N-tert-butyl-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23478645
4-N-(2,5-dichlorophenyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485490
3-chloro-5-methyl-4-nitro-1H-pyrazole
CID 23256
6-N-butyl-4-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485415
4-N-(5-chloro-2-pyridinyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485493
4-N-(3-chloro-4-methylphenyl)-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23485292
N-[4-(benzylamino)-3-chlorophenyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 60614094
N-(3,4-dichlorophenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23485427
6-N-(3-chloro-4-methylphenyl)-4-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine
CID 23479598
3-N-(3,4-dichlorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80768908

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine (CID 3104737) is N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The InChIKey is DHRWLRGJFSWHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c1-5-9(16(17)18)10(15-14-5)13-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14,15).
What are the key properties of N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine has a molecular weight of 287.11 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 3104737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).