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

C14H17Cl2N3O — CID 109482027

IUPAC1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
SMILESCc1c(CNCC(O)c2cc(Cl)cc(Cl)c2)cnn1C
InChIInChI=1S/C14H17Cl2N3O/c1-9-11(7-18-19(9)2)6-17-8-14(20)10-3-12(15)5-13(16)4-10/h3-5,7,14,17,20H,6,8H2,1-2H3
InChIKeyKZEFXYUCPSSTBF-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.86
Rot. Bonds5

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

1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol (PubChem CID 109482027) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
PubChem CID109482027
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
SMILESCc1c(CNCC(O)c2cc(Cl)cc(Cl)c2)cnn1C
InChIInChI=1S/C14H17Cl2N3O/c1-9-11(7-18-19(9)2)6-17-8-14(20)10-3-12(15)5-13(16)4-10/h3-5,7,14,17,20H,6,8H2,1-2H3
InChIKeyKZEFXYUCPSSTBF-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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218
1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 111427348
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859261
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol (CID 109482027) is 1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol is Cc1c(CNCC(O)c2cc(Cl)cc(Cl)c2)cnn1C.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is KZEFXYUCPSSTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-9-11(7-18-19(9)2)6-17-8-14(20)10-3-12(15)5-13(16)4-10/h3-5,7,14,17,20H,6,8H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol?
1-(3,5-dichlorophenyl)-2-[(1,5-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-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 109482027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).