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

C19H18Cl2N4O3 — CID 163325601

IUPAC4-[[5-(4-chlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
SMILESCc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)cc2)o1)c1c(C)[nH][nH]c1=O.Cl
InChIInChI=1S/C19H17ClN4O3.ClH/c1-9-15(18(25)23-21-9)17(16-10(2)22-24-19(16)26)14-8-7-13(27-14)11-3-5-12(20)6-4-11;/h3-8,17H,1-2H3,(H2,21,23,25)(H2,22,24,26);1H
InChIKeyLLTYQWMKZDPTIP-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.85
Rot. Bonds4

About 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

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 (PubChem CID 163325601) has the molecular formula C19H18Cl2N4O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
PubChem CID163325601
Molecular FormulaC19H18Cl2N4O3
Molecular Weight421.28 g/mol
Exact Mass420.08
IUPAC Name4-[[5-(4-chlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
SMILESCc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)cc2)o1)c1c(C)[nH][nH]c1=O.Cl
InChIInChI=1S/C19H17ClN4O3.ClH/c1-9-15(18(25)23-21-9)17(16-10(2)22-24-19(16)26)14-8-7-13(27-14)11-3-5-12(20)6-4-11;/h3-8,17H,1-2H3,(H2,21,23,25)(H2,22,24,26);1H
InChIKeyLLTYQWMKZDPTIP-UHFFFAOYSA-N
XLogP3.85
TPSA110.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 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 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-(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
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-(4-chlorophenyl)furan-2-yl]-N-methylethanamine
CID 62498077
4-[[5-(3-bromo-4-methylphenyl)furan-2-yl]-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
CID 126372640
2-[(R)-(4-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
CID 711755
3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CID 26366522
4-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 126053621
4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 21379981
4-[[4-(dimethylamino)phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
CID 163325546
2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
CID 10756387
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
1-[5-(4-chlorophenyl)furan-2-yl]-2-nitroethanol
CID 134121254

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)cc2)o1)c1c(C)[nH][nH]c1=O.Cl.
What is the InChIKey of 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?
The InChIKey is LLTYQWMKZDPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3.ClH/c1-9-15(18(25)23-21-9)17(16-10(2)22-24-19(16)26)14-8-7-13(27-14)11-3-5-12(20)6-4-11;/h3-8,17H,1-2H3,(H2,21,23,25)(H2,22,24,26);1H.
What are the key properties of 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?
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 has a molecular weight of 421.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163325601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).