5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

C10H14FN3O — CID 165460366

IUPAC5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CCC(F)C2)c1C=O
InChIInChI=1S/C10H14FN3O/c1-7-9(6-15)10(13(2)12-7)14-4-3-8(11)5-14/h6,8H,3-5H2,1-2H3
InChIKeyXVMTYMISQANWEP-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.09
Rot. Bonds2

About 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 165460366) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID165460366
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CCC(F)C2)c1C=O
InChIInChI=1S/C10H14FN3O/c1-7-9(6-15)10(13(2)12-7)14-4-3-8(11)5-14/h6,8H,3-5H2,1-2H3
InChIKeyXVMTYMISQANWEP-UHFFFAOYSA-N
XLogP1.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 165460366) is 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(N2CCC(F)C2)c1C=O.
What is the InChIKey of 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is XVMTYMISQANWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7-9(6-15)10(13(2)12-7)14-4-3-8(11)5-14/h6,8H,3-5H2,1-2H3.
What are the key properties of 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 211.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 165460366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).