N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide

C21H28N4O2 — CID 92591071

IUPACN-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C21H28N4O2/c1-4-25(17-8-6-5-7-9-17)21(27)18-14-22-23-19(18)16-10-12-24(13-11-16)20(26)15(2)3/h5-9,14-16H,4,10-13H2,1-3H3,(H,22,23)
InChIKeyZRASQAVNPKLFJK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.44
Rot. Bonds5

About N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide

N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 92591071) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID92591071
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C21H28N4O2/c1-4-25(17-8-6-5-7-9-17)21(27)18-14-22-23-19(18)16-10-12-24(13-11-16)20(26)15(2)3/h5-9,14-16H,4,10-13H2,1-3H3,(H,22,23)
InChIKeyZRASQAVNPKLFJK-UHFFFAOYSA-N
XLogP3.44
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide (CID 92591071) is N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide is CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C(C)C)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZRASQAVNPKLFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-25(17-8-6-5-7-9-17)21(27)18-14-22-23-19(18)16-10-12-24(13-11-16)20(26)15(2)3/h5-9,14-16H,4,10-13H2,1-3H3,(H,22,23).
What are the key properties of N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide?
N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 92591071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).