4-(4-chloropyrazol-1-yl)benzaldehyde

C10H7ClN2O — CID 61034878

IUPAC4-(4-chloropyrazol-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C10H7ClN2O/c11-9-5-12-13(6-9)10-3-1-8(7-14)2-4-10/h1-7H
InChIKeyQDBNQACVIQTGIN-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.34
Rot. Bonds2

About 4-(4-chloropyrazol-1-yl)benzaldehyde

4-(4-chloropyrazol-1-yl)benzaldehyde (PubChem CID 61034878) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)benzaldehyde
PubChem CID61034878
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name4-(4-chloropyrazol-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C10H7ClN2O/c11-9-5-12-13(6-9)10-3-1-8(7-14)2-4-10/h1-7H
InChIKeyQDBNQACVIQTGIN-UHFFFAOYSA-N
XLogP2.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.34
H-Bond Donors ≤ 50
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 4-(4-chloropyrazol-1-yl)benzaldehyde?
The IUPAC name of 4-(4-chloropyrazol-1-yl)benzaldehyde (CID 61034878) is 4-(4-chloropyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)benzaldehyde?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)benzaldehyde is O=Cc1ccc(-n2cc(Cl)cn2)cc1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)benzaldehyde?
The InChIKey is QDBNQACVIQTGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-5-12-13(6-9)10-3-1-8(7-14)2-4-10/h1-7H.
What are the key properties of 4-(4-chloropyrazol-1-yl)benzaldehyde?
4-(4-chloropyrazol-1-yl)benzaldehyde has a molecular weight of 206.63 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 61034878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).