N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine

C15H13ClN6O2 — CID 126842790

IUPACN-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine
SMILESCc1nn(-c2ccc(Nc3ccc(Cl)cc3)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
InChIKeySBGYQMAOEINAQK-UHFFFAOYSA-N
MW344.76 g/mol
LogP3.58
Rot. Bonds4

About N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine

N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine (PubChem CID 126842790) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine
PubChem CID126842790
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC NameN-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine
SMILESCc1nn(-c2ccc(Nc3ccc(Cl)cc3)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
InChIKeySBGYQMAOEINAQK-UHFFFAOYSA-N
XLogP3.58
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-[1-(4-chlorophenyl)-3-(dichloromethyl)-4-nitro-1H-pyrazol-5-yl]piperidine
CID 2948069
1-(4-chlorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3608254
(4-Chlorophenyl)[(5-imino-3-methyl-1-phenyl(1,2-diazolin-4-ylidene))azamethyl] amine
CID 4152276
N-(3-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)pyridazin-3-amine (5g)
CID 126842789
1-(6-chloro-2-pyridinyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3263975
6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-phenylpyridazin-3-amine (5c)
CID 126842785
6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(p-tolyl)pyridazin-3-amine (5d)
CID 126842786
6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine (5f)
CID 126842788
N-(4-Bromophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)pyridazin-3-amine (5i)
CID 126842791
6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine (5m)
CID 126842794
Pyrazolooxadiazinone, 2c
CID 136086883
6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
CID 4684353

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine (CID 126842790) is N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine is Cc1nn(-c2ccc(Nc3ccc(Cl)cc3)nn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine?
The InChIKey is SBGYQMAOEINAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine?
N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine has a molecular weight of 344.76 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 126842790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).