5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde

C11H11N3O — CID 10774442

IUPAC5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccccc2)c(N)c1C=O
InChIInChI=1S/C11H11N3O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3
InChIKeyUSUZLTADOLMXDK-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.58
Rot. Bonds2

About 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde

5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde (PubChem CID 10774442) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde
PubChem CID10774442
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccccc2)c(N)c1C=O
InChIInChI=1S/C11H11N3O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3
InChIKeyUSUZLTADOLMXDK-UHFFFAOYSA-N
XLogP1.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.58
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 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde (CID 10774442) is 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde is Cc1nn(-c2ccccc2)c(N)c1C=O.
What is the InChIKey of 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is USUZLTADOLMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3.
What are the key properties of 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde?
5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 10774442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).