[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone

C20H24FN3O2 — CID 16671792

IUPAC[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C20H24FN3O2/c1-20(2,3)17-11-16(22-23-17)19(26)24-10-4-5-14(12-24)18(25)13-6-8-15(21)9-7-13/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyIBSWCSZGKCHGOQ-AWEZNQCLSA-N
MW357.43 g/mol
LogP3.58
Rot. Bonds3

About [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone

[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 16671792) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID16671792
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C20H24FN3O2/c1-20(2,3)17-11-16(22-23-17)19(26)24-10-4-5-14(12-24)18(25)13-6-8-15(21)9-7-13/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyIBSWCSZGKCHGOQ-AWEZNQCLSA-N
XLogP3.58
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
[1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 166186060
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125005483
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 71919840
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 56915916
(5-tert-butyl-1H-pyrazol-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312993
(5-tert-butyl-1H-pyrazol-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 166216883

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone (CID 16671792) is [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone is CC(C)(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n[nH]1.
What is the InChIKey of [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is IBSWCSZGKCHGOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-20(2,3)17-11-16(22-23-17)19(26)24-10-4-5-14(12-24)18(25)13-6-8-15(21)9-7-13/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 357.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 16671792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).