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

C22H28N4O2 — CID 110084456

IUPAC5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C2CCC2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-2-26(18-9-4-3-5-10-18)22(28)19-15-23-24-20(19)16-11-13-25(14-12-16)21(27)17-7-6-8-17/h3-5,9-10,15-17H,2,6-8,11-14H2,1H3,(H,23,24)
InChIKeyDEEOMUMKLVMWJZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.58
Rot. Bonds5

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

5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 110084456) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID110084456
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C2CCC2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-2-26(18-9-4-3-5-10-18)22(28)19-15-23-24-20(19)16-11-13-25(14-12-16)21(27)17-7-6-8-17/h3-5,9-10,15-17H,2,6-8,11-14H2,1H3,(H,23,24)
InChIKeyDEEOMUMKLVMWJZ-UHFFFAOYSA-N
XLogP3.58
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591072
N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591071
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591087
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029
N-methyl-N-phenyl-5-[1-(4-pyridin-2-ylbutanoyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 92607650
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
cyclohexyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584391
cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584390
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605973
1-[4-[4-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124987050

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 110084456) is 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide is CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C2CCC2)CC1)c1ccccc1.
What is the InChIKey of 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is DEEOMUMKLVMWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-26(18-9-4-3-5-10-18)22(28)19-15-23-24-20(19)16-11-13-25(14-12-16)21(27)17-7-6-8-17/h3-5,9-10,15-17H,2,6-8,11-14H2,1H3,(H,23,24).
What are the key properties of 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110084456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).