2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol

C14H13BrFN5O — CID 141367855

IUPAC2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol
SMILESOCCNc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C14H13BrFN5O/c15-10-5-8(1-2-11(10)16)9-6-18-20-13(9)14-12(7-19-21-14)17-3-4-22/h1-2,5-7,17,22H,3-4H2,(H,18,20)(H,19,21)
InChIKeyAEZSSRSXOKIVKX-UHFFFAOYSA-N
MW366.19 g/mol
LogP2.77
Rot. Bonds5

About 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol

2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol (PubChem CID 141367855) has the molecular formula C14H13BrFN5O and a molecular weight of 366.19 g/mol. Its IUPAC name is 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol
PubChem CID141367855
Molecular FormulaC14H13BrFN5O
Molecular Weight366.19 g/mol
Exact Mass365.03
IUPAC Name2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol
SMILESOCCNc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C14H13BrFN5O/c15-10-5-8(1-2-11(10)16)9-6-18-20-13(9)14-12(7-19-21-14)17-3-4-22/h1-2,5-7,17,22H,3-4H2,(H,18,20)(H,19,21)
InChIKeyAEZSSRSXOKIVKX-UHFFFAOYSA-N
XLogP2.77
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol with MolForge

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Related Compounds

5-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 62913159
3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 22037776
N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
CID 117209938
[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]methanol
CID 63927372
4-(3-bromo-4-fluorophenyl)-3-[4-(3-methoxypropylamino)-1H-pyrazol-5-yl]-1,4-dihydropyrazol-5-one
CID 141259629
5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine
CID 141367860
[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]methanol
CID 71710905
2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol
CID 116975007
3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline
CID 146662199
N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
CID 117209943
3-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 115909467
5-bromo-4-(5-hydroxypentylamino)-1H-pyridazin-6-one
CID 107318148

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol (CID 141367855) is 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol is OCCNc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Br)c1.
What is the InChIKey of 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol?
The InChIKey is AEZSSRSXOKIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN5O/c15-10-5-8(1-2-11(10)16)9-6-18-20-13(9)14-12(7-19-21-14)17-3-4-22/h1-2,5-7,17,22H,3-4H2,(H,18,20)(H,19,21).
What are the key properties of 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol?
2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol has a molecular weight of 366.19 g/mol, XLogP of 2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(3-bromo-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]amino]ethanol is sourced from PubChem (CID 141367855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).