[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone

C20H16F3N3O — CID 157175016

IUPAC[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone
SMILESO=C(N1CC(=Cc2ccc(F)cc2)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C20H16F3N3O/c21-16-3-1-13(2-4-16)7-14-11-25(12-14)20(27)26-19(5-6-24-26)15-8-17(22)10-18(23)9-15/h1-4,6-10,19H,5,11-12H2/t19-/m0/s1
InChIKeyANXDTJFZCJMTED-IBGZPJMESA-N
MW371.36 g/mol
LogP4.36
Rot. Bonds2

About [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone

[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone (PubChem CID 157175016) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone
PubChem CID157175016
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone
SMILESO=C(N1CC(=Cc2ccc(F)cc2)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C20H16F3N3O/c21-16-3-1-13(2-4-16)7-14-11-25(12-14)20(27)26-19(5-6-24-26)15-8-17(22)10-18(23)9-15/h1-4,6-10,19H,5,11-12H2/t19-/m0/s1
InChIKeyANXDTJFZCJMTED-IBGZPJMESA-N
XLogP4.36
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone?
The IUPAC name of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone (CID 157175016) is [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone.
What is the SMILES notation for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone?
The canonical SMILES for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone is O=C(N1CC(=Cc2ccc(F)cc2)C1)N1N=CC[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone?
The InChIKey is ANXDTJFZCJMTED-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-16-3-1-13(2-4-16)7-14-11-25(12-14)20(27)26-19(5-6-24-26)15-8-17(22)10-18(23)9-15/h1-4,6-10,19H,5,11-12H2/t19-/m0/s1.
What are the key properties of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone?
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone has a molecular weight of 371.36 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(4-fluorophenyl)methylidene]azetidin-1-yl]methanone is sourced from PubChem (CID 157175016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).