1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol

C16H21Cl2N3O — CID 111427348

IUPAC1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol
SMILESCCn1nc(C)c(CNCC(O)c2cc(Cl)cc(Cl)c2)c1C
InChIInChI=1S/C16H21Cl2N3O/c1-4-21-11(3)15(10(2)20-21)8-19-9-16(22)12-5-13(17)7-14(18)6-12/h5-7,16,19,22H,4,8-9H2,1-3H3
InChIKeyPKNHMNSELYKUMO-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.65
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol

1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol (PubChem CID 111427348) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol
PubChem CID111427348
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol
SMILESCCn1nc(C)c(CNCC(O)c2cc(Cl)cc(Cl)c2)c1C
InChIInChI=1S/C16H21Cl2N3O/c1-4-21-11(3)15(10(2)20-21)8-19-9-16(22)12-5-13(17)7-14(18)6-12/h5-7,16,19,22H,4,8-9H2,1-3H3
InChIKeyPKNHMNSELYKUMO-UHFFFAOYSA-N
XLogP3.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol with MolForge

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Related Compounds

2-[4-[(3,5-Dichlorophenyl)methyl]-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9923413
2-[4-[(3,5-Dichlorophenyl)methyl]-3-isopropyl-5-methyl-pyrazol-1-yl]ethanol
CID 9945237
2-[4-[(3,5-Dichlorophenyl)methyl]-5-ethyl-3-methyl-pyrazol-1-yl]ethanol
CID 9966562
2-[4-[(3,5-Dichlorophenyl)methyl]-3-ethyl-5-methyl-pyrazol-1-yl]ethanol
CID 9966563
2-[4-[(3,5-Dichlorophenyl)-methoxy-methyl]-3,5-diethyl-pyrazol-1-yl]ethanol
CID 21877060
2-[4-[(3,5-Dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-1-yl]ethanol
CID 9857452
2-[4-[(3,5-Dichlorophenyl)methyl]-5-isopropyl-3-methyl-pyrazol-1-yl]ethanol
CID 9923414
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-buten-1-ol
CID 3560876
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(4-chlorophenyl)methanol
CID 5180935
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]ethanol
CID 50908375
1-(4-Chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol
CID 50908376

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol (CID 111427348) is 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol is CCn1nc(C)c(CNCC(O)c2cc(Cl)cc(Cl)c2)c1C.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is PKNHMNSELYKUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c1-4-21-11(3)15(10(2)20-21)8-19-9-16(22)12-5-13(17)7-14(18)6-12/h5-7,16,19,22H,4,8-9H2,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol?
1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 342.27 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 111427348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).