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

C10H8ClN5 — CID 136926377

IUPAC5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole
SMILESCc1cc(-c2cc(N=[N+]=[N-])[nH]n2)ccc1Cl
InChIInChI=1S/C10H8ClN5/c1-6-4-7(2-3-8(6)11)9-5-10(14-13-9)15-16-12/h2-5H,1H3,(H,13,14)
InChIKeyNWDSPFOOBHCHBG-UHFFFAOYSA-N
MW233.66 g/mol
LogP3.98
Rot. Bonds2

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

5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole (PubChem CID 136926377) has the molecular formula C10H8ClN5 and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole
PubChem CID136926377
Molecular FormulaC10H8ClN5
Molecular Weight233.66 g/mol
Exact Mass233.05
IUPAC Name5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole
SMILESCc1cc(-c2cc(N=[N+]=[N-])[nH]n2)ccc1Cl
InChIInChI=1S/C10H8ClN5/c1-6-4-7(2-3-8(6)11)9-5-10(14-13-9)15-16-12/h2-5H,1H3,(H,13,14)
InChIKeyNWDSPFOOBHCHBG-UHFFFAOYSA-N
XLogP3.98
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 53.98
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-fluoro-3-methylphenyl)-1H-pyrazole
CID 136926415
5-azido-3-(4-butan-2-ylphenyl)-1H-pyrazole
CID 136926431
5-azido-3-(4-cyclohexylphenyl)-1H-pyrazole
CID 136926436
5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole
CID 136926401
(E)-1-(4-chloro-3-methylphenyl)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 122414209
5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
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6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223511
3-azido-1-chloro-2,4-dimethylbenzene
CID 151172193
2-bromo-4-(4-chloro-3-methylphenyl)-5-propan-2-yl-1,3-thiazole
CID 167558473
2-chloro-4-(4-chloro-3-methylphenyl)phenol
CID 53221359
5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929756
3-(4-chloro-3-methylphenyl)-N-(1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)-1H-pyrazole-5-carboxamide
CID 71021975

Frequently Asked Questions

What is the IUPAC name of 5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole?
The IUPAC name of 5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole (CID 136926377) is 5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole?
The canonical SMILES for 5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole is Cc1cc(-c2cc(N=[N+]=[N-])[nH]n2)ccc1Cl.
What is the InChIKey of 5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole?
The InChIKey is NWDSPFOOBHCHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5/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-chloro-3-methylphenyl)-1H-pyrazole?
5-azido-3-(4-chloro-3-methylphenyl)-1H-pyrazole has a molecular weight of 233.66 g/mol, XLogP of 3.98, 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-chloro-3-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 136926377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).