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

C11H11Cl2N3O — CID 65362046

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-7-1-2-9(13)6(3-7)4-10(17)8-5-15-16-11(8)14/h1-3,5,10,17H,4H2,(H3,14,15,16)
InChIKeyGTCROBRTXPMMKN-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.57
Rot. Bonds3

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

1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 65362046) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID65362046
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-7-1-2-9(13)6(3-7)4-10(17)8-5-15-16-11(8)14/h1-3,5,10,17H,4H2,(H3,14,15,16)
InChIKeyGTCROBRTXPMMKN-UHFFFAOYSA-N
XLogP2.57
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65361780
1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 65362157
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 82685676
1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol
CID 65361725
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
2-(2,5-dichlorophenyl)-1-pyridazin-4-ylethanol
CID 105100348
1-(5-amino-1H-pyrazol-4-yl)-3-ethylpentan-1-ol
CID 82920619
1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol
CID 83161431
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol (CID 65362046) is 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol is Nc1[nH]ncc1C(O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is GTCROBRTXPMMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-7-1-2-9(13)6(3-7)4-10(17)8-5-15-16-11(8)14/h1-3,5,10,17H,4H2,(H3,14,15,16).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol?
1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 272.13 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 65362046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).