2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde

C15H17FN4O — CID 170977699

IUPAC2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1Cn1cc(Cc2ccc(F)cn2)cn1
InChIInChI=1S/C15H17FN4O/c16-13-3-4-14(17-8-13)6-12-7-18-20(9-12)10-15-2-1-5-19(15)11-21/h3-4,7-9,11,15H,1-2,5-6,10H2
InChIKeyINXACRZPAHCCTF-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.63
Rot. Bonds5

About 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde

2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde (PubChem CID 170977699) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde
PubChem CID170977699
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1Cn1cc(Cc2ccc(F)cn2)cn1
InChIInChI=1S/C15H17FN4O/c16-13-3-4-14(17-8-13)6-12-7-18-20(9-12)10-15-2-1-5-19(15)11-21/h3-4,7-9,11,15H,1-2,5-6,10H2
InChIKeyINXACRZPAHCCTF-UHFFFAOYSA-N
XLogP1.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.63
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 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde (CID 170977699) is 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde is O=CN1CCCC1Cn1cc(Cc2ccc(F)cn2)cn1.
What is the InChIKey of 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde?
The InChIKey is INXACRZPAHCCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-13-3-4-14(17-8-13)6-12-7-18-20(9-12)10-15-2-1-5-19(15)11-21/h3-4,7-9,11,15H,1-2,5-6,10H2.
What are the key properties of 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde?
2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde has a molecular weight of 288.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-fluoro-2-pyridinyl)methyl]pyrazol-1-yl]methyl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 170977699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).