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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Related Compounds

5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110084456
5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591072
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591087
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
N-methyl-N-phenyl-5-[1-(4-pyridin-2-ylbutanoyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 92607650
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029
5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605973
N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265
5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259464
4-amino-5-cyclopropyl-N-ethyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 62077121
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 92584406

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).