furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone

C22H18N2O4 — CID 134945705

IUPACfuran-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone
SMILESCOc1ccccc1C(=O)N1N=C(c2ccccc2)C[C@H]1C(=O)c1ccco1
InChIInChI=1S/C22H18N2O4/c1-27-19-11-6-5-10-16(19)22(26)24-18(21(25)20-12-7-13-28-20)14-17(23-24)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3/t18-/m0/s1
InChIKeyKJEULHHUSLAXPH-SFHVURJKSA-N
MW374.40 g/mol
LogP3.79
Rot. Bonds5

About furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone

furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone (PubChem CID 134945705) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone
PubChem CID134945705
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Namefuran-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone
SMILESCOc1ccccc1C(=O)N1N=C(c2ccccc2)C[C@H]1C(=O)c1ccco1
InChIInChI=1S/C22H18N2O4/c1-27-19-11-6-5-10-16(19)22(26)24-18(21(25)20-12-7-13-28-20)14-17(23-24)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3/t18-/m0/s1
InChIKeyKJEULHHUSLAXPH-SFHVURJKSA-N
XLogP3.79
TPSA72.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone
CID 134945763
(2-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 992022
[(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 7460424
ethyl 2-[2-[(3R)-2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 7172802
ethyl 2-[2-[2-(furan-2-carbonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetate
CID 2973260
furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 91653669
methyl 2-benzoyl-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylate
CID 134100204
(2-methoxyphenyl)-[(3R)-3-(2-methoxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 99801302
[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 851183
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxybenzoate
CID 16540321
1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methoxyphenoxy)ethanone
CID 7834430
furan-2-yl-[(3R)-5-(furan-2-yl)-3-(2-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41105781

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone?
The IUPAC name of furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone (CID 134945705) is furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone?
The canonical SMILES for furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone is COc1ccccc1C(=O)N1N=C(c2ccccc2)C[C@H]1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone?
The InChIKey is KJEULHHUSLAXPH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-19-11-6-5-10-16(19)22(26)24-18(21(25)20-12-7-13-28-20)14-17(23-24)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3/t18-/m0/s1.
What are the key properties of furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone?
furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone has a molecular weight of 374.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone is sourced from PubChem (CID 134945705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).