[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone

C21H23N3O — CID 122703579

IUPAC[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1
InChIInChI=1S/C21H23N3O/c25-21(24-20(11-14-22-24)17-7-3-1-4-8-17)18-12-15-23(16-13-18)19-9-5-2-6-10-19/h1-10,14,18,20H,11-13,15-16H2/t20-/m0/s1
InChIKeyREVOJJXKVWMXFV-FQEVSTJZSA-N
MW333.44 g/mol
LogP3.86
Rot. Bonds3

About [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone

[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone (PubChem CID 122703579) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone
PubChem CID122703579
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1
InChIInChI=1S/C21H23N3O/c25-21(24-20(11-14-22-24)17-7-3-1-4-8-17)18-12-15-23(16-13-18)19-9-5-2-6-10-19/h1-10,14,18,20H,11-13,15-16H2/t20-/m0/s1
InChIKeyREVOJJXKVWMXFV-FQEVSTJZSA-N
XLogP3.86
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone (CID 122703579) is [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1.
What is the InChIKey of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone?
The InChIKey is REVOJJXKVWMXFV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(24-20(11-14-22-24)17-7-3-1-4-8-17)18-12-15-23(16-13-18)19-9-5-2-6-10-19/h1-10,14,18,20H,11-13,15-16H2/t20-/m0/s1.
What are the key properties of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone?
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone is sourced from PubChem (CID 122703579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).