[3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

C22H18ClFN2O4 — CID 75457502

IUPAC[3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccc(Cl)c(F)c3)C2)c(OC)c1
InChIInChI=1S/C22H18ClFN2O4/c1-28-14-6-7-15(21(11-14)29-2)18-12-19(13-5-8-16(23)17(24)10-13)26(25-18)22(27)20-4-3-9-30-20/h3-11,19H,12H2,1-2H3
InChIKeyVDVCXAFGYOENFH-UHFFFAOYSA-N
MW428.85 g/mol
LogP5.08
Rot. Bonds5

About [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

[3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 75457502) has the molecular formula C22H18ClFN2O4 and a molecular weight of 428.85 g/mol. Its IUPAC name is [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID75457502
Molecular FormulaC22H18ClFN2O4
Molecular Weight428.85 g/mol
Exact Mass428.09
IUPAC Name[3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccc(Cl)c(F)c3)C2)c(OC)c1
InChIInChI=1S/C22H18ClFN2O4/c1-28-14-6-7-15(21(11-14)29-2)18-12-19(13-5-8-16(23)17(24)10-13)26(25-18)22(27)20-4-3-9-30-20/h3-11,19H,12H2,1-2H3
InChIKeyVDVCXAFGYOENFH-UHFFFAOYSA-N
XLogP5.08
TPSA64.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.85
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 75457336
furan-2-yl-[3-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 86805973
(2-chlorophenyl)-[5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 75457376
(2-chlorophenyl)-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 75457334
[(3S)-3-(3,5-dimethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136883770
(5-bromofuran-2-yl)-[(3S)-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 97309711
N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93132713
[(3R)-3-(4-ethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 135556951
1-[5-(2,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 75457485
(5-bromofuran-2-yl)-[(3R)-5-(2,4-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]methanone
CID 97309620
N-[2-[(3R)-3-(3,5-dimethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100663544
[(3S)-3-(4-fluorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 41062784

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 75457502) is [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is COc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccc(Cl)c(F)c3)C2)c(OC)c1.
What is the InChIKey of [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is VDVCXAFGYOENFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O4/c1-28-14-6-7-15(21(11-14)29-2)18-12-19(13-5-8-16(23)17(24)10-13)26(25-18)22(27)20-4-3-9-30-20/h3-11,19H,12H2,1-2H3.
What are the key properties of [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 428.85 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-3-fluorophenyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 75457502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).