N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide

C21H21FN4O — CID 20953791

IUPACN-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnn(-c2ccccc2)c1C1CCNCC1
InChIInChI=1S/C21H21FN4O/c22-18-8-4-5-9-19(18)25-21(27)17-14-24-26(16-6-2-1-3-7-16)20(17)15-10-12-23-13-11-15/h1-9,14-15,23H,10-13H2,(H,25,27)
InChIKeyCSUBJLPSKVBGCD-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.73
Rot. Bonds4

About N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide

N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20953791) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20953791
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnn(-c2ccccc2)c1C1CCNCC1
InChIInChI=1S/C21H21FN4O/c22-18-8-4-5-9-19(18)25-21(27)17-14-24-26(16-6-2-1-3-7-16)20(17)15-10-12-23-13-11-15/h1-9,14-15,23H,10-13H2,(H,25,27)
InChIKeyCSUBJLPSKVBGCD-UHFFFAOYSA-N
XLogP3.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20953791) is N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide is O=C(Nc1ccccc1F)c1cnn(-c2ccccc2)c1C1CCNCC1.
What is the InChIKey of N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is CSUBJLPSKVBGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-8-4-5-9-19(18)25-21(27)17-14-24-26(16-6-2-1-3-7-16)20(17)15-10-12-23-13-11-15/h1-9,14-15,23H,10-13H2,(H,25,27).
What are the key properties of N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20953791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).