5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole

C15H17N5 — CID 136926436

IUPAC5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole
SMILES[N-]=[N+]=Nc1cc(-c2ccc(C3CCCCC3)cc2)n[nH]1
InChIInChI=1S/C15H17N5/c16-20-19-15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,17,18)
InChIKeyHRGGPJDNTXDIJW-UHFFFAOYSA-N
MW267.34 g/mol
LogP5.07
Rot. Bonds3

About 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole

5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole (PubChem CID 136926436) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole
PubChem CID136926436
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole
SMILES[N-]=[N+]=Nc1cc(-c2ccc(C3CCCCC3)cc2)n[nH]1
InChIInChI=1S/C15H17N5/c16-20-19-15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,17,18)
InChIKeyHRGGPJDNTXDIJW-UHFFFAOYSA-N
XLogP5.07
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.34
LogP ≤ 55.07
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

[3-(4-cyclohexylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82482333
5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 136926415
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline
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1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
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3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117459623
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
3-(4-cyclohexylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761447
3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82120366
4-cyclohexyl-N-diazobenzenesulfonamide
CID 43286634
6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
CID 95473920

Frequently Asked Questions

What is the IUPAC name of 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole?
The IUPAC name of 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole (CID 136926436) is 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole?
The canonical SMILES for 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole is [N-]=[N+]=Nc1cc(-c2ccc(C3CCCCC3)cc2)n[nH]1.
What is the InChIKey of 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole?
The InChIKey is HRGGPJDNTXDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-20-19-15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,17,18).
What are the key properties of 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole?
5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole has a molecular weight of 267.34 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole is sourced from PubChem (CID 136926436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).