1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole

C11H10ClN5 — CID 12746693

IUPAC1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2cc(Cl)ccc2N=[N+]=[N-])n1
InChIInChI=1S/C11H10ClN5/c1-7-5-8(2)17(15-7)11-6-9(12)3-4-10(11)14-16-13/h3-6H,1-2H3
InChIKeyRCJNBTUMWYHPNZ-UHFFFAOYSA-N
MW247.69 g/mol
LogP4.08
Rot. Bonds2

About 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole

1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole (PubChem CID 12746693) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole
PubChem CID12746693
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2cc(Cl)ccc2N=[N+]=[N-])n1
InChIInChI=1S/C11H10ClN5/c1-7-5-8(2)17(15-7)11-6-9(12)3-4-10(11)14-16-13/h3-6H,1-2H3
InChIKeyRCJNBTUMWYHPNZ-UHFFFAOYSA-N
XLogP4.08
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(4-azidophenyl)-3,5-dimethylpyrazole
CID 150446996
2-azido-5-chlorobenzenethiol
CID 150684817
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
CID 12718144
1-[4-(2-azidoethyl)phenyl]-3,5-dimethylpyrazole
CID 22244617
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
1-azido-4-chloro-2-(3,3-dimethylbut-1-ynyl)benzene
CID 141454336
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
3-chloro-4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984366
2-[(2-azido-4-chlorophenyl)methyl]benzotriazole
CID 45103971
1-(5-bromo-2-methylphenyl)-3,5-dimethylpyrazole
CID 130121149
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole
CID 82091650

Frequently Asked Questions

What is the IUPAC name of 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole (CID 12746693) is 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole is Cc1cc(C)n(-c2cc(Cl)ccc2N=[N+]=[N-])n1.
What is the InChIKey of 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole?
The InChIKey is RCJNBTUMWYHPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c1-7-5-8(2)17(15-7)11-6-9(12)3-4-10(11)14-16-13/h3-6H,1-2H3.
What are the key properties of 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole?
1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole has a molecular weight of 247.69 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 12746693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).