5-azido-3-(2-ethoxyphenyl)-1H-pyrazole

C11H11N5O — CID 136926399

IUPAC5-azido-3-(2-ethoxyphenyl)-1H-pyrazole
SMILESCCOc1ccccc1-c1cc(N=[N+]=[N-])[nH]n1
InChIInChI=1S/C11H11N5O/c1-2-17-10-6-4-3-5-8(10)9-7-11(14-13-9)15-16-12/h3-7H,2H2,1H3,(H,13,14)
InChIKeyRPCLTXRUWJTLRZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.42
Rot. Bonds4

About 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole

5-azido-3-(2-ethoxyphenyl)-1H-pyrazole (PubChem CID 136926399) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-azido-3-(2-ethoxyphenyl)-1H-pyrazole
PubChem CID136926399
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name5-azido-3-(2-ethoxyphenyl)-1H-pyrazole
SMILESCCOc1ccccc1-c1cc(N=[N+]=[N-])[nH]n1
InChIInChI=1S/C11H11N5O/c1-2-17-10-6-4-3-5-8(10)9-7-11(14-13-9)15-16-12/h3-7H,2H2,1H3,(H,13,14)
InChIKeyRPCLTXRUWJTLRZ-UHFFFAOYSA-N
XLogP3.42
TPSA86.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
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

5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole
CID 136926401
5-azido-3-(2,4-dichlorophenyl)-1H-pyrazole
CID 136926372
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine
CID 58282933
3-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54852298
2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
CID 56796065
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
3-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128639
4-chloro-2-(2-ethoxyphenyl)pyridine
CID 102825098
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520

Frequently Asked Questions

What is the IUPAC name of 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole (CID 136926399) is 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole is CCOc1ccccc1-c1cc(N=[N+]=[N-])[nH]n1.
What is the InChIKey of 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole?
The InChIKey is RPCLTXRUWJTLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-2-17-10-6-4-3-5-8(10)9-7-11(14-13-9)15-16-12/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole?
5-azido-3-(2-ethoxyphenyl)-1H-pyrazole has a molecular weight of 229.24 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-(2-ethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 136926399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).