(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride

C20H23Cl3N4O3 — CID 67504757

IUPAC(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride
SMILESCC(C)C[C@@H](C(=O)Nc1ccn(C)n1)N1CC(Oc2cccc(Cl)c2Cl)=CC1=O.Cl
InChIInChI=1S/C20H22Cl2N4O3.ClH/c1-12(2)9-15(20(28)23-17-7-8-25(3)24-17)26-11-13(10-18(26)27)29-16-6-4-5-14(21)19(16)22;/h4-8,10,12,15H,9,11H2,1-3H3,(H,23,24,28);1H/t15-;/m0./s1
InChIKeyWMBLSFBXYWPURY-RSAXXLAASA-N
MW473.79 g/mol
LogP4.31
Rot. Bonds7

About (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride

(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride (PubChem CID 67504757) has the molecular formula C20H23Cl3N4O3 and a molecular weight of 473.79 g/mol. Its IUPAC name is (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride
PubChem CID67504757
Molecular FormulaC20H23Cl3N4O3
Molecular Weight473.79 g/mol
Exact Mass472.08
IUPAC Name(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride
SMILESCC(C)C[C@@H](C(=O)Nc1ccn(C)n1)N1CC(Oc2cccc(Cl)c2Cl)=CC1=O.Cl
InChIInChI=1S/C20H22Cl2N4O3.ClH/c1-12(2)9-15(20(28)23-17-7-8-25(3)24-17)26-11-13(10-18(26)27)29-16-6-4-5-14(21)19(16)22;/h4-8,10,12,15H,9,11H2,1-3H3,(H,23,24,28);1H/t15-;/m0./s1
InChIKeyWMBLSFBXYWPURY-RSAXXLAASA-N
XLogP4.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;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

CID 57920094
CID 57920094
CID 76641559
CID 76641559
CID 44251877
CID 44251877
CID 44251878
CID 44251878
CID 44252317
CID 44252317
CID 44253897
CID 44253897
CID 50914359
CID 50914359
CID 50914360
CID 50914360
CID 50914363
CID 50914363
CID 50914511
CID 50914511
CID 50914515
CID 50914515
CID 50914656
CID 50914656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride?
The IUPAC name of (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride (CID 67504757) is (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride is CC(C)C[C@@H](C(=O)Nc1ccn(C)n1)N1CC(Oc2cccc(Cl)c2Cl)=CC1=O.Cl.
What is the InChIKey of (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride?
The InChIKey is WMBLSFBXYWPURY-RSAXXLAASA-N. The full InChI is InChI=1S/C20H22Cl2N4O3.ClH/c1-12(2)9-15(20(28)23-17-7-8-25(3)24-17)26-11-13(10-18(26)27)29-16-6-4-5-14(21)19(16)22;/h4-8,10,12,15H,9,11H2,1-3H3,(H,23,24,28);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride?
(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride has a molecular weight of 473.79 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride is sourced from PubChem (CID 67504757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).