[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone

C19H21F2N5O2 — CID 153366951

IUPAC[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
SMILESCc1nnc(N2CC[C@H](C(=O)N3N=CC[C@@H]3c3cc(F)cc(F)c3)C[C@@H]2C)o1
InChIInChI=1S/C19H21F2N5O2/c1-11-7-13(4-6-25(11)19-24-23-12(2)28-19)18(27)26-17(3-5-22-26)14-8-15(20)10-16(21)9-14/h5,8-11,13,17H,3-4,6-7H2,1-2H3/t11-,13-,17+/m0/s1
InChIKeySBVVTIBAPNYJBI-PLQHRBFRSA-N
MW389.41 g/mol
LogP3.22
Rot. Bonds3

About [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone

[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 153366951) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
PubChem CID153366951
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
SMILESCc1nnc(N2CC[C@H](C(=O)N3N=CC[C@@H]3c3cc(F)cc(F)c3)C[C@@H]2C)o1
InChIInChI=1S/C19H21F2N5O2/c1-11-7-13(4-6-25(11)19-24-23-12(2)28-19)18(27)26-17(3-5-22-26)14-8-15(20)10-16(21)9-14/h5,8-11,13,17H,3-4,6-7H2,1-2H3/t11-,13-,17+/m0/s1
InChIKeySBVVTIBAPNYJBI-PLQHRBFRSA-N
XLogP3.22
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.1]heptan-6-yl]methanone
CID 153366893
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3,3-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 151531204
[(4S)-3,3-difluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 153366895
ethane;methyl 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylate
CID 142352275
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]methanone
CID 177260559
N-[6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]acetamide
CID 134521391
6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyridazine-3-carbonitrile
CID 134522007
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-spiro[2.5]octan-7-ylmethanone
CID 167545486
[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 134521628
tert-butyl 7-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-4-azaspiro[2.5]octane-4-carboxylate
CID 155277258
azetidin-1-yl-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 162385835
cyclohexyl-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 122703708

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (CID 153366951) is [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone is Cc1nnc(N2CC[C@H](C(=O)N3N=CC[C@@H]3c3cc(F)cc(F)c3)C[C@@H]2C)o1.
What is the InChIKey of [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is SBVVTIBAPNYJBI-PLQHRBFRSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-11-7-13(4-6-25(11)19-24-23-12(2)28-19)18(27)26-17(3-5-22-26)14-8-15(20)10-16(21)9-14/h5,8-11,13,17H,3-4,6-7H2,1-2H3/t11-,13-,17+/m0/s1.
What are the key properties of [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 389.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,4S)-2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 153366951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).