1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde

C11H9ClN2O2 — CID 82389129

IUPAC1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde
SMILESCc1ccc(Cl)cc1-n1cc(O)c(C=O)n1
InChIInChI=1S/C11H9ClN2O2/c1-7-2-3-8(12)4-10(7)14-5-11(16)9(6-15)13-14/h2-6,16H,1H3
InChIKeyMZNRQOXCZWVTLJ-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.35
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde

1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde (PubChem CID 82389129) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde
PubChem CID82389129
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde
SMILESCc1ccc(Cl)cc1-n1cc(O)c(C=O)n1
InChIInChI=1S/C11H9ClN2O2/c1-7-2-3-8(12)4-10(7)14-5-11(16)9(6-15)13-14/h2-6,16H,1H3
InChIKeyMZNRQOXCZWVTLJ-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde (CID 82389129) is 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde is Cc1ccc(Cl)cc1-n1cc(O)c(C=O)n1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde?
The InChIKey is MZNRQOXCZWVTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-2-3-8(12)4-10(7)14-5-11(16)9(6-15)13-14/h2-6,16H,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde?
1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde has a molecular weight of 236.66 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde is sourced from PubChem (CID 82389129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).