5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole

C9H5Cl2N5 — CID 136926372

IUPAC5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole
SMILES[N-]=[N+]=Nc1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C9H5Cl2N5/c10-5-1-2-6(7(11)3-5)8-4-9(14-13-8)15-16-12/h1-4H,(H,13,14)
InChIKeyMLPFPHCFDRYPKQ-UHFFFAOYSA-N
MW254.08 g/mol
LogP4.33
Rot. Bonds2

About 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole

5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole (PubChem CID 136926372) has the molecular formula C9H5Cl2N5 and a molecular weight of 254.08 g/mol. Its IUPAC name is 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole
PubChem CID136926372
Molecular FormulaC9H5Cl2N5
Molecular Weight254.08 g/mol
Exact Mass252.99
IUPAC Name5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole
SMILES[N-]=[N+]=Nc1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C9H5Cl2N5/c10-5-1-2-6(7(11)3-5)8-4-9(14-13-8)15-16-12/h1-4H,(H,13,14)
InChIKeyMLPFPHCFDRYPKQ-UHFFFAOYSA-N
XLogP4.33
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole
CID 136926377
5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 136926415
5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole
CID 136926401
3-(2,4-dichlorophenyl)-1H-pyridazin-6-one
CID 43583824
2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol
CID 3807261
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
5-[2-(2-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)-1H-pyrazole
CID 59694406
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole
CID 136926436
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237

Frequently Asked Questions

What is the IUPAC name of 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole?
The IUPAC name of 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole (CID 136926372) is 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole?
The canonical SMILES for 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole is [N-]=[N+]=Nc1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole?
The InChIKey is MLPFPHCFDRYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N5/c10-5-1-2-6(7(11)3-5)8-4-9(14-13-8)15-16-12/h1-4H,(H,13,14).
What are the key properties of 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole?
5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole has a molecular weight of 254.08 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole is sourced from PubChem (CID 136926372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).