[3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C18H23FN4O — CID 24794148

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C18H23FN4O/c1-12(2)16-10-17(22-21-16)18(24)23-9-3-4-15(11-23)20-14-7-5-13(19)6-8-14/h5-8,10,12,15,20H,3-4,9,11H2,1-2H3,(H,21,22)
InChIKeyOYDRDBFQHXTWNQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.39
Rot. Bonds4

About [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 24794148) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID24794148
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C18H23FN4O/c1-12(2)16-10-17(22-21-16)18(24)23-9-3-4-15(11-23)20-14-7-5-13(19)6-8-14/h5-8,10,12,15,20H,3-4,9,11H2,1-2H3,(H,21,22)
InChIKeyOYDRDBFQHXTWNQ-UHFFFAOYSA-N
XLogP3.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone 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 [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 24794148) is [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n[nH]1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is OYDRDBFQHXTWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12(2)16-10-17(22-21-16)18(24)23-9-3-4-15(11-23)20-14-7-5-13(19)6-8-14/h5-8,10,12,15,20H,3-4,9,11H2,1-2H3,(H,21,22).
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 330.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 24794148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).