1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol

C14H17Cl2N3O — CID 109482088

IUPAC1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(C)cc1CNCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3O/c1-9-10(8-19(2)18-9)6-17-7-13(20)14-11(15)4-3-5-12(14)16/h3-5,8,13,17,20H,6-7H2,1-2H3
InChIKeyHKCCKXYYCFSOLW-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.86
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol

1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol (PubChem CID 109482088) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol
PubChem CID109482088
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(C)cc1CNCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3O/c1-9-10(8-19(2)18-9)6-17-7-13(20)14-11(15)4-3-5-12(14)16/h3-5,8,13,17,20H,6-7H2,1-2H3
InChIKeyHKCCKXYYCFSOLW-UHFFFAOYSA-N
XLogP2.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989757
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylaniline
CID 83089565
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 115989388
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 109479903
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 109480038
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990390
2-chloro-6-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112669738
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-phenylethanol
CID 83075613
4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469660
3-chloro-4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 102664980

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol (CID 109482088) is 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol is Cc1nn(C)cc1CNCC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is HKCCKXYYCFSOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-9-10(8-19(2)18-9)6-17-7-13(20)14-11(15)4-3-5-12(14)16/h3-5,8,13,17,20H,6-7H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol?
1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 109482088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).