(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one

C18H13FN2O2 — CID 7306086

IUPAC(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)c2c(n[nH]c2-c2ccccc2)O1
InChIInChI=1S/C18H13FN2O2/c19-13-8-6-11(7-9-13)14-10-15(22)23-18-16(14)17(20-21-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1
InChIKeyPBESAVWNRBLNRK-AWEZNQCLSA-N
MW308.31 g/mol
LogP3.66
Rot. Bonds2

About (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one

(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one (PubChem CID 7306086) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
PubChem CID7306086
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)c2c(n[nH]c2-c2ccccc2)O1
InChIInChI=1S/C18H13FN2O2/c19-13-8-6-11(7-9-13)14-10-15(22)23-18-16(14)17(20-21-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1
InChIKeyPBESAVWNRBLNRK-AWEZNQCLSA-N
XLogP3.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306232
(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306126
(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306091
3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 5302903
(4S)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306248
(4R)-4-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306089
(4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306103
4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621384
17-(4-fluorophenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134148653
5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione
CID 139228594
4-(5-methylthiophen-2-yl)-3-(3-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 5302902
4-(4-fluorophenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4911306

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The IUPAC name of (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one (CID 7306086) is (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one is O=C1C[C@@H](c2ccc(F)cc2)c2c(n[nH]c2-c2ccccc2)O1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The InChIKey is PBESAVWNRBLNRK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-13-8-6-11(7-9-13)14-10-15(22)23-18-16(14)17(20-21-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one has a molecular weight of 308.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 7306086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).