3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde

C10H7ClN2O2 — CID 171067092

IUPAC3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Oc2cn[nH]c2)c1
InChIInChI=1S/C10H7ClN2O2/c11-8-1-7(6-14)2-9(3-8)15-10-4-12-13-5-10/h1-6H,(H,12,13)
InChIKeyRZBDOJSAGQWNKQ-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.67
Rot. Bonds3

About 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde

3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde (PubChem CID 171067092) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde
PubChem CID171067092
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Oc2cn[nH]c2)c1
InChIInChI=1S/C10H7ClN2O2/c11-8-1-7(6-14)2-9(3-8)15-10-4-12-13-5-10/h1-6H,(H,12,13)
InChIKeyRZBDOJSAGQWNKQ-UHFFFAOYSA-N
XLogP2.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde?
The IUPAC name of 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde (CID 171067092) is 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde.
What is the SMILES notation for 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde?
The canonical SMILES for 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde is O=Cc1cc(Cl)cc(Oc2cn[nH]c2)c1.
What is the InChIKey of 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde?
The InChIKey is RZBDOJSAGQWNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-8-1-7(6-14)2-9(3-8)15-10-4-12-13-5-10/h1-6H,(H,12,13).
What are the key properties of 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde?
3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde has a molecular weight of 222.63 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde is sourced from PubChem (CID 171067092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).