5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C23H26N4O — CID 25342036

IUPAC5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C23H26N4O/c28-23(21-16-25-26-22(21)18-9-3-1-4-10-18)24-15-19-11-5-6-12-20(19)17-27-13-7-2-8-14-27/h1,3-6,9-12,16H,2,7-8,13-15,17H2,(H,24,28)(H,25,26)
InChIKeyDGLAYGSCVLUDLI-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.99
Rot. Bonds6

About 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 25342036) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID25342036
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C23H26N4O/c28-23(21-16-25-26-22(21)18-9-3-1-4-10-18)24-15-19-11-5-6-12-20(19)17-27-13-7-2-8-14-27/h1,3-6,9-12,16H,2,7-8,13-15,17H2,(H,24,28)(H,25,26)
InChIKeyDGLAYGSCVLUDLI-UHFFFAOYSA-N
XLogP3.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 25342036) is 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCc1ccccc1CN1CCCCC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DGLAYGSCVLUDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(21-16-25-26-22(21)18-9-3-1-4-10-18)24-15-19-11-5-6-12-20(19)17-27-13-7-2-8-14-27/h1,3-6,9-12,16H,2,7-8,13-15,17H2,(H,24,28)(H,25,26).
What are the key properties of 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25342036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).