5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole

C10H8FN5 — CID 136926415

IUPAC5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole
SMILESCc1cc(-c2cc(N=[N+]=[N-])[nH]n2)ccc1F
InChIInChI=1S/C10H8FN5/c1-6-4-7(2-3-8(6)11)9-5-10(14-13-9)15-16-12/h2-5H,1H3,(H,13,14)
InChIKeyNHUVHKCJORQBIF-UHFFFAOYSA-N
MW217.21 g/mol
LogP3.47
Rot. Bonds2

About 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole

5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole (PubChem CID 136926415) has the molecular formula C10H8FN5 and a molecular weight of 217.21 g/mol. Its IUPAC name is 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole
PubChem CID136926415
Molecular FormulaC10H8FN5
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole
SMILESCc1cc(-c2cc(N=[N+]=[N-])[nH]n2)ccc1F
InChIInChI=1S/C10H8FN5/c1-6-4-7(2-3-8(6)11)9-5-10(14-13-9)15-16-12/h2-5H,1H3,(H,13,14)
InChIKeyNHUVHKCJORQBIF-UHFFFAOYSA-N
XLogP3.47
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 53.47
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-butan-2-ylphenyl)-1H-pyrazole
CID 136926431
5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole
CID 136926436
3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one
CID 70889953
5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole
CID 136926401
4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694
4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210316
3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 82073034
4-(4-fluoro-3-methylphenyl)-1,3-dihydroimidazol-2-one
CID 116879646
2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
CID 82299783
5-bromo-2-(4-fluoro-3-methylphenyl)pyridine
CID 83920260

Frequently Asked Questions

What is the IUPAC name of 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole?
The IUPAC name of 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole (CID 136926415) is 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole?
The canonical SMILES for 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole is Cc1cc(-c2cc(N=[N+]=[N-])[nH]n2)ccc1F.
What is the InChIKey of 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole?
The InChIKey is NHUVHKCJORQBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5/c1-6-4-7(2-3-8(6)11)9-5-10(14-13-9)15-16-12/h2-5H,1H3,(H,13,14).
What are the key properties of 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole?
5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole has a molecular weight of 217.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 136926415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).