1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol

C23H27Cl2N3O2 — CID 46927888

IUPAC1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C23H27Cl2N3O2/c1-16-22(17(2)28(26-16)12-18-6-4-5-7-23(18)25)14-27(3)13-20(29)15-30-21-10-8-19(24)9-11-21/h4-11,20,29H,12-15H2,1-3H3
InChIKeyPDFAUYXBJDPBCE-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.73
Rot. Bonds9

About 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol

1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol (PubChem CID 46927888) has the molecular formula C23H27Cl2N3O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
PubChem CID46927888
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.39 g/mol
Exact Mass447.15
IUPAC Name1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C23H27Cl2N3O2/c1-16-22(17(2)28(26-16)12-18-6-4-5-7-23(18)25)14-27(3)13-20(29)15-30-21-10-8-19(24)9-11-21/h4-11,20,29H,12-15H2,1-3H3
InChIKeyPDFAUYXBJDPBCE-UHFFFAOYSA-N
XLogP4.73
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol 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-(2,4-Dichloro-phenoxy)-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 3152400
[1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 16192405
1-(4-Chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 2876017
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3133155
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(p-tolyloxy)propan-2-ol
CID 3144351
1-[[1-[(2-Chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4840815
1-(((1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl)(methyl)amino)-3-phenoxypropan-2-ol
CID 53363341
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 45165675
2-[4-(4-Chlorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9900766
2-Chloro-4-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-benzonitrile
CID 10267967
1-[[1-[(2-Ethenylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 51036773
1-(4-Chlorophenoxy)-3-[[1-[(2-ethenylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 51036774

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol (CID 46927888) is 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol is Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol?
The InChIKey is PDFAUYXBJDPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2/c1-16-22(17(2)28(26-16)12-18-6-4-5-7-23(18)25)14-27(3)13-20(29)15-30-21-10-8-19(24)9-11-21/h4-11,20,29H,12-15H2,1-3H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol?
1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol has a molecular weight of 448.39 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 46927888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).