1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone

C17H21N3O2 — CID 122703578

IUPAC1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-13(21)19-11-8-15(9-12-19)17(22)20-16(7-10-18-20)14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3
InChIKeyRAZBNWZNUFECAN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.20
Rot. Bonds2

About 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone

1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 122703578) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID122703578
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-13(21)19-11-8-15(9-12-19)17(22)20-16(7-10-18-20)14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3
InChIKeyRAZBNWZNUFECAN-UHFFFAOYSA-N
XLogP2.20
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone (CID 122703578) is 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is RAZBNWZNUFECAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(21)19-11-8-15(9-12-19)17(22)20-16(7-10-18-20)14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3.
What are the key properties of 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone?
1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 122703578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).