1-(4-methoxyphenyl)pyrazole-4-carbaldehyde

C11H10N2O2 — CID 4123933

IUPAC1-(4-methoxyphenyl)pyrazole-4-carbaldehyde
SMILESCOc1ccc(-n2cc(C=O)cn2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-11-4-2-10(3-5-11)13-7-9(8-14)6-12-13/h2-8H,1H3
InChIKeyNRVPYMGFCLDQLB-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.69
Rot. Bonds3

About 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde

1-(4-methoxyphenyl)pyrazole-4-carbaldehyde (PubChem CID 4123933) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-methoxyphenyl)pyrazole-4-carbaldehyde
PubChem CID4123933
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-(4-methoxyphenyl)pyrazole-4-carbaldehyde
SMILESCOc1ccc(-n2cc(C=O)cn2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-11-4-2-10(3-5-11)13-7-9(8-14)6-12-13/h2-8H,1H3
InChIKeyNRVPYMGFCLDQLB-UHFFFAOYSA-N
XLogP1.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
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-(4-methoxyphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde (CID 4123933) is 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde is COc1ccc(-n2cc(C=O)cn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde?
The InChIKey is NRVPYMGFCLDQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11-4-2-10(3-5-11)13-7-9(8-14)6-12-13/h2-8H,1H3.
What are the key properties of 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde?
1-(4-methoxyphenyl)pyrazole-4-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 4123933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).