1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone

C19H19Cl2N3O2 — CID 135503895

IUPAC1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(Cl)cc(Cl)c2O)CC1c1ccc(N(C)C)cc1
InChIInChI=1S/C19H19Cl2N3O2/c1-11(25)24-18(12-4-6-14(7-5-12)23(2)3)10-17(22-24)15-8-13(20)9-16(21)19(15)26/h4-9,18,26H,10H2,1-3H3
InChIKeyHIGWONCTUUPOMS-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.46
Rot. Bonds3

About 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 135503895) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID135503895
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(Cl)cc(Cl)c2O)CC1c1ccc(N(C)C)cc1
InChIInChI=1S/C19H19Cl2N3O2/c1-11(25)24-18(12-4-6-14(7-5-12)23(2)3)10-17(22-24)15-8-13(20)9-16(21)19(15)26/h4-9,18,26H,10H2,1-3H3
InChIKeyHIGWONCTUUPOMS-UHFFFAOYSA-N
XLogP4.46
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone 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

1-[(3S)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 879557
3-[2-acetyl-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-5-yl]-7-(dimethylamino)-4-hydroxychromen-2-one
CID 136669533
5-[(3R)-2-acetyl-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 135775172
1-[3-(4-chlorophenyl)-5-(2,6-dihydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135453059
1-[5-(2,3-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 91182866
4-[(3S)-5-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]benzoate
CID 7150383
1-[5-[4-[(2,5-dibromophenyl)sulfonylmethyl]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone
CID 159791207
1-[5-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 5083839
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
[2-[(3R)-2-acetyl-3-(4-acetyloxy-3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-chlorophenyl] acetate
CID 40870382
4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 7058514
5-[(3S)-2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 136743218

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone (CID 135503895) is 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2cc(Cl)cc(Cl)c2O)CC1c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is HIGWONCTUUPOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11(25)24-18(12-4-6-14(7-5-12)23(2)3)10-17(22-24)15-8-13(20)9-16(21)19(15)26/h4-9,18,26H,10H2,1-3H3.
What are the key properties of 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 392.29 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 135503895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).