(3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

C23H28N4O3 — CID 52522144

IUPAC(3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)[C@@H]1CC(C(=O)NC[C@H](c2ccco2)N2CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-17(28)20-15-19(25-27(20)18-9-4-2-5-10-18)23(29)24-16-21(22-11-8-14-30-22)26-12-6-3-7-13-26/h2,4-5,8-11,14,20-21H,3,6-7,12-13,15-16H2,1H3,(H,24,29)/t20-,21+/m0/s1
InChIKeyNEAOACMKSLQBER-LEWJYISDSA-N
MW408.50 g/mol
LogP3.15
Rot. Bonds7

About (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

(3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 52522144) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID52522144
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)[C@@H]1CC(C(=O)NC[C@H](c2ccco2)N2CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-17(28)20-15-19(25-27(20)18-9-4-2-5-10-18)23(29)24-16-21(22-11-8-14-30-22)26-12-6-3-7-13-26/h2,4-5,8-11,14,20-21H,3,6-7,12-13,15-16H2,1H3,(H,24,29)/t20-,21+/m0/s1
InChIKeyNEAOACMKSLQBER-LEWJYISDSA-N
XLogP3.15
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55996812
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30520689
5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2494653
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51162639

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 52522144) is (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide is CC(=O)[C@@H]1CC(C(=O)NC[C@H](c2ccco2)N2CCCCC2)=NN1c1ccccc1.
What is the InChIKey of (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is NEAOACMKSLQBER-LEWJYISDSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(28)20-15-19(25-27(20)18-9-4-2-5-10-18)23(29)24-16-21(22-11-8-14-30-22)26-12-6-3-7-13-26/h2,4-5,8-11,14,20-21H,3,6-7,12-13,15-16H2,1H3,(H,24,29)/t20-,21+/m0/s1.
What are the key properties of (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
(3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 52522144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).