(3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone

C21H21FN4O — CID 45171242

IUPAC(3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C21H21FN4O/c22-19-11-5-4-10-17(19)20-18(13-23-25-20)21(27)26-12-6-9-16(14-26)24-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,24H,6,9,12,14H2,(H,23,25)
InChIKeyCGBGNJFIUZDVRL-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.93
Rot. Bonds4

About (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone

(3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 45171242) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID45171242
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name(3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C21H21FN4O/c22-19-11-5-4-10-17(19)20-18(13-23-25-20)21(27)26-12-6-9-16(14-26)24-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,24H,6,9,12,14H2,(H,23,25)
InChIKeyCGBGNJFIUZDVRL-UHFFFAOYSA-N
XLogP3.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 45171242) is (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-c1ccccc1F)N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is CGBGNJFIUZDVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-19-11-5-4-10-17(19)20-18(13-23-25-20)21(27)26-12-6-9-16(14-26)24-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,24H,6,9,12,14H2,(H,23,25).
What are the key properties of (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone?
(3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 364.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 45171242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).