3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide

C29H30N4O3 — CID 55548850

IUPAC3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C29H30N4O3/c1-3-21-8-10-22(11-9-21)27-25(18-33(31-27)26-7-5-4-6-20(26)2)28(34)30-24-12-15-32(16-13-24)29(35)23-14-17-36-19-23/h4-11,14,17-19,24H,3,12-13,15-16H2,1-2H3,(H,30,34)
InChIKeyXGDZGYZMVHJTEW-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.04
Rot. Bonds6

About 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide

3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55548850) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID55548850
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C29H30N4O3/c1-3-21-8-10-22(11-9-21)27-25(18-33(31-27)26-7-5-4-6-20(26)2)28(34)30-24-12-15-32(16-13-24)29(35)23-14-17-36-19-23/h4-11,14,17-19,24H,3,12-13,15-16H2,1-2H3,(H,30,34)
InChIKeyXGDZGYZMVHJTEW-UHFFFAOYSA-N
XLogP5.04
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 60513846
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202211
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 56558529
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38199441
methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate
CID 9277921
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24660099
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 134000260
2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 166224821
9-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 139008258
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 55548850) is 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide is CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is XGDZGYZMVHJTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-3-21-8-10-22(11-9-21)27-25(18-33(31-27)26-7-5-4-6-20(26)2)28(34)30-24-12-15-32(16-13-24)29(35)23-14-17-36-19-23/h4-11,14,17-19,24H,3,12-13,15-16H2,1-2H3,(H,30,34).
What are the key properties of 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55548850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).