3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one

C19H23N3O2 — CID 171912404

IUPAC3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C19H23N3O2/c23-19-18(8-11-24-19)22-9-6-15(7-10-22)17-13-16(20-21-17)12-14-4-2-1-3-5-14/h1-5,13,15,18H,6-12H2,(H,20,21)
InChIKeyAAPWJYBJINKMGL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.50
Rot. Bonds4

About 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one

3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one (PubChem CID 171912404) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one
PubChem CID171912404
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C19H23N3O2/c23-19-18(8-11-24-19)22-9-6-15(7-10-22)17-13-16(20-21-17)12-14-4-2-1-3-5-14/h1-5,13,15,18H,6-12H2,(H,20,21)
InChIKeyAAPWJYBJINKMGL-UHFFFAOYSA-N
XLogP2.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 56705721
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 56712711
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 56716769
(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 56705943
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56717699
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 155501278
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 95228912
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone
CID 95206961
6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 56714296
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118795553
3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one
CID 51104567
(3S)-3-[4-(benzenesulfonyl)piperazin-1-yl]oxolan-2-one
CID 27454278

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one (CID 171912404) is 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one is O=C1OCCC1N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1.
What is the InChIKey of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one?
The InChIKey is AAPWJYBJINKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19-18(8-11-24-19)22-9-6-15(7-10-22)17-13-16(20-21-17)12-14-4-2-1-3-5-14/h1-5,13,15,18H,6-12H2,(H,20,21).
What are the key properties of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one?
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 171912404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).