3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde

C11H10FN3O — CID 14176102

IUPAC3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde
SMILESCn1nc(N)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c1-15-10(9(6-16)11(13)14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,14)
InChIKeyGNNLWDKFZVLVTI-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde

3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde (PubChem CID 14176102) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde
PubChem CID14176102
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde
SMILESCn1nc(N)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c1-15-10(9(6-16)11(13)14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,14)
InChIKeyGNNLWDKFZVLVTI-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.62
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 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde (CID 14176102) is 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde is Cn1nc(N)c(C=O)c1-c1ccc(F)cc1.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde?
The InChIKey is GNNLWDKFZVLVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-10(9(6-16)11(13)14-15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,14).
What are the key properties of 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde?
3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde has a molecular weight of 219.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 14176102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).