1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol

C11H11ClFN3O — CID 65361780

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3O/c12-9-4-7(13)2-1-6(9)3-10(17)8-5-15-16-11(8)14/h1-2,4-5,10,17H,3H2,(H3,14,15,16)
InChIKeyKGCHDCCLZVXNQT-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.06
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol

1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol (PubChem CID 65361780) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
PubChem CID65361780
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3O/c12-9-4-7(13)2-1-6(9)3-10(17)8-5-15-16-11(8)14/h1-2,4-5,10,17H,3H2,(H3,14,15,16)
InChIKeyKGCHDCCLZVXNQT-UHFFFAOYSA-N
XLogP2.06
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65362046
1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 65362157
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231120
1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 107469320
4-[(2-chloro-5-fluorophenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105397851
2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105086943
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
1-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-2-chloro-4-fluorobenzene
CID 66042283
2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 105086929

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol (CID 65361780) is 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol is Nc1[nH]ncc1C(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol?
The InChIKey is KGCHDCCLZVXNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c12-9-4-7(13)2-1-6(9)3-10(17)8-5-15-16-11(8)14/h1-2,4-5,10,17H,3H2,(H3,14,15,16).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol?
1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol has a molecular weight of 255.68 g/mol, XLogP of 2.06, 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-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 65361780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).