3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine

C8H5Cl2N5O2 — CID 104513974

IUPAC3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine
SMILESO=[N+]([O-])c1nn(Cc2ccc(Cl)nn2)cc1Cl
InChIInChI=1S/C8H5Cl2N5O2/c9-6-4-14(13-8(6)15(16)17)3-5-1-2-7(10)12-11-5/h1-2,4H,3H2
InChIKeySMJMWGWLSSUVCW-UHFFFAOYSA-N
MW274.07 g/mol
LogP1.94
Rot. Bonds3

About 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine

3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine (PubChem CID 104513974) has the molecular formula C8H5Cl2N5O2 and a molecular weight of 274.07 g/mol. Its IUPAC name is 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine
PubChem CID104513974
Molecular FormulaC8H5Cl2N5O2
Molecular Weight274.07 g/mol
Exact Mass272.98
IUPAC Name3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine
SMILESO=[N+]([O-])c1nn(Cc2ccc(Cl)nn2)cc1Cl
InChIInChI=1S/C8H5Cl2N5O2/c9-6-4-14(13-8(6)15(16)17)3-5-1-2-7(10)12-11-5/h1-2,4H,3H2
InChIKeySMJMWGWLSSUVCW-UHFFFAOYSA-N
XLogP1.94
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.94
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'}

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Related Compounds

4-chloro-1-[(4-methylphenyl)methyl]-3-nitropyrazole
CID 17024843
4-chloro-1-[(2-fluorophenyl)methyl]-3-nitropyrazole
CID 7017487
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzoic acid
CID 840117
4-chloro-1-[(3,4-difluorophenyl)methyl]-3-nitropyrazole
CID 82930503
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-nitropyrazole
CID 107885716
3-chloro-6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridazine
CID 104513882
4-chloro-1-(2,3-dichloroprop-2-enyl)-3-nitropyrazole
CID 79173591
4-chloro-1-[(3-methylphenyl)methyl]-3-nitropyrazole
CID 2991992
1-(4-chloro-3-nitropyrazol-1-yl)propan-2-one
CID 19620827
3-(4-chloro-3-nitropyrazol-1-yl)propan-1-amine
CID 19618117
4-chloro-1-(2-ethylbutyl)-3-nitropyrazole
CID 82930504
2-[(4-chloro-3-nitropyrazol-1-yl)methyl]prop-2-ene-1-thiol
CID 103073978

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine (CID 104513974) is 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine is O=[N+]([O-])c1nn(Cc2ccc(Cl)nn2)cc1Cl.
What is the InChIKey of 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine?
The InChIKey is SMJMWGWLSSUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N5O2/c9-6-4-14(13-8(6)15(16)17)3-5-1-2-7(10)12-11-5/h1-2,4H,3H2.
What are the key properties of 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine?
3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine has a molecular weight of 274.07 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyridazine is sourced from PubChem (CID 104513974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).