4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

C19H16Cl2N4O3 — CID 126050311

IUPAC4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1C(c1ccc(-c2cc(Cl)ccc2Cl)o1)c1c(C)[nH][nH]c1=O
InChIInChI=1S/C19H16Cl2N4O3/c1-8-15(18(26)24-22-8)17(16-9(2)23-25-19(16)27)14-6-5-13(28-14)11-7-10(20)3-4-12(11)21/h3-7,17H,1-2H3,(H2,22,24,26)(H2,23,25,27)
InChIKeyBGHLBKUGSGRPLM-UHFFFAOYSA-N
MW419.27 g/mol
LogP4.08
Rot. Bonds4

About 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 126050311) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID126050311
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC Name4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1C(c1ccc(-c2cc(Cl)ccc2Cl)o1)c1c(C)[nH][nH]c1=O
InChIInChI=1S/C19H16Cl2N4O3/c1-8-15(18(26)24-22-8)17(16-9(2)23-25-19(16)27)14-6-5-13(28-14)11-7-10(20)3-4-12(11)21/h3-7,17H,1-2H3,(H2,22,24,26)(H2,23,25,27)
InChIKeyBGHLBKUGSGRPLM-UHFFFAOYSA-N
XLogP4.08
TPSA110.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one 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

4-[[5-(4-chlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
CID 163325601
4-chloro-3-[5-[3-methoxy-1-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-oxopropyl]furan-2-yl]benzoic acid
CID 71704232
2-(2,5-dichlorophenyl)-5-methylfuran;ethane
CID 143821579
5-methyl-4-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
CID 126091414
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398591
(3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide
CID 124514749
2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
CID 2017751
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 50883766
2-[(R)-(4-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
CID 711755
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-methylethanamine
CID 62498906
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
4-[(4-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 3146764

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 126050311) is 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1C(c1ccc(-c2cc(Cl)ccc2Cl)o1)c1c(C)[nH][nH]c1=O.
What is the InChIKey of 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is BGHLBKUGSGRPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-8-15(18(26)24-22-8)17(16-9(2)23-25-19(16)27)14-6-5-13(28-14)11-7-10(20)3-4-12(11)21/h3-7,17H,1-2H3,(H2,22,24,26)(H2,23,25,27).
What are the key properties of 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 419.27 g/mol, XLogP of 4.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 126050311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).