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

C26H30N4O3 — CID 92591087

IUPAC5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N(CC)c2ccccc2)CC1
InChIInChI=1S/C26H30N4O3/c1-3-30(20-10-6-5-7-11-20)26(32)22-18-27-28-24(22)19-14-16-29(17-15-19)25(31)21-12-8-9-13-23(21)33-4-2/h5-13,18-19H,3-4,14-17H2,1-2H3,(H,27,28)
InChIKeyHFLAUAKSJVLKIO-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.49
Rot. Bonds7

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

5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 92591087) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID92591087
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N(CC)c2ccccc2)CC1
InChIInChI=1S/C26H30N4O3/c1-3-30(20-10-6-5-7-11-20)26(32)22-18-27-28-24(22)19-14-16-29(17-15-19)25(31)21-12-8-9-13-23(21)33-4-2/h5-13,18-19H,3-4,14-17H2,1-2H3,(H,27,28)
InChIKeyHFLAUAKSJVLKIO-UHFFFAOYSA-N
XLogP4.49
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110084456
N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591071
5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591072
3-[1-(2-ethoxybenzoyl)piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91809875
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 53192403
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 1430211
N-methyl-N-phenyl-5-[1-(4-pyridin-2-ylbutanoyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 92607650
N,N-dimethyl-2-[2-(4-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 39580956
azepan-1-yl-[5-[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110083021
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 92591087) is 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide is CCOc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N(CC)c2ccccc2)CC1.
What is the InChIKey of 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is HFLAUAKSJVLKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-30(20-10-6-5-7-11-20)26(32)22-18-27-28-24(22)19-14-16-29(17-15-19)25(31)21-12-8-9-13-23(21)33-4-2/h5-13,18-19H,3-4,14-17H2,1-2H3,(H,27,28).
What are the key properties of 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 92591087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).