5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole

C11H11N5O2 — CID 136926401

IUPAC5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(OC)c(-c2cc(N=[N+]=[N-])[nH]n2)c1
InChIInChI=1S/C11H11N5O2/c1-17-7-3-4-10(18-2)8(5-7)9-6-11(14-13-9)15-16-12/h3-6H,1-2H3,(H,13,14)
InChIKeyHYZPIQKCIQAGEC-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.04
Rot. Bonds4

About 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole

5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole (PubChem CID 136926401) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole
PubChem CID136926401
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(OC)c(-c2cc(N=[N+]=[N-])[nH]n2)c1
InChIInChI=1S/C11H11N5O2/c1-17-7-3-4-10(18-2)8(5-7)9-6-11(14-13-9)15-16-12/h3-6H,1-2H3,(H,13,14)
InChIKeyHYZPIQKCIQAGEC-UHFFFAOYSA-N
XLogP3.04
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047445
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82446278
3-(2,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2047421
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-azido-4-methoxypyridine
CID 102249989
5-azido-3-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 136926415
4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82485414
4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826014
2-(2,5-dimethoxyphenyl)-4-fluoropyridine
CID 102824456
3-(2,5-dimethoxyphenyl)-N-[(4-propoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4308127

Frequently Asked Questions

What is the IUPAC name of 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole (CID 136926401) is 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole is COc1ccc(OC)c(-c2cc(N=[N+]=[N-])[nH]n2)c1.
What is the InChIKey of 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole?
The InChIKey is HYZPIQKCIQAGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-17-7-3-4-10(18-2)8(5-7)9-6-11(14-13-9)15-16-12/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole?
5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole has a molecular weight of 245.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 136926401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).