1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol

C12H13Cl2N3O — CID 111114881

IUPAC1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
SMILESOC(CNCc1ccn[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3O/c13-8-1-2-10(11(14)5-8)12(18)7-15-6-9-3-4-16-17-9/h1-5,12,15,18H,6-7H2,(H,16,17)
InChIKeyYDQCEJVQAQXPPF-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.54
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol

1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol (PubChem CID 111114881) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
PubChem CID111114881
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
SMILESOC(CNCc1ccn[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3O/c13-8-1-2-10(11(14)5-8)12(18)7-15-6-9-3-4-16-17-9/h1-5,12,15,18H,6-7H2,(H,16,17)
InChIKeyYDQCEJVQAQXPPF-UHFFFAOYSA-N
XLogP2.54
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 82313283
1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol
CID 111466747
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111440487
3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
CID 82313271
1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 111424572
2-[(1-tert-butylpyrazol-4-yl)methylamino]-1-(2,4-dichlorophenyl)ethanol
CID 111114869
1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111423579
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
(2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine
CID 82236059

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol (CID 111114881) is 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol is OC(CNCc1ccn[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The InChIKey is YDQCEJVQAQXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c13-8-1-2-10(11(14)5-8)12(18)7-15-6-9-3-4-16-17-9/h1-5,12,15,18H,6-7H2,(H,16,17).
What are the key properties of 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol has a molecular weight of 286.16 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol is sourced from PubChem (CID 111114881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).