N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide

C22H24N4O — CID 71824729

IUPACN-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(20-15-23-25-21(20)18-9-5-2-6-10-18)24-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H,23,25)(H,24,27)
InChIKeyUUGIIYXGEUNCBQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.47
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide

N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 71824729) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID71824729
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(20-15-23-25-21(20)18-9-5-2-6-10-18)24-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H,23,25)(H,24,27)
InChIKeyUUGIIYXGEUNCBQ-UHFFFAOYSA-N
XLogP3.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 71824729) is N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is UUGIIYXGEUNCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(20-15-23-25-21(20)18-9-5-2-6-10-18)24-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H,23,25)(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).