2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

C17H20FN5O — CID 46995292

IUPAC2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCn1cc(CN(CCO)Cc2cn[nH]c2-c2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN5O/c1-22-10-13(8-20-22)11-23(6-7-24)12-15-9-19-21-17(15)14-2-4-16(18)5-3-14/h2-5,8-10,24H,6-7,11-12H2,1H3,(H,19,21)
InChIKeyWCRGILNWCBHFRZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.94
Rot. Bonds7

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

2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (PubChem CID 46995292) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
PubChem CID46995292
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCn1cc(CN(CCO)Cc2cn[nH]c2-c2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN5O/c1-22-10-13(8-20-22)11-23(6-7-24)12-15-9-19-21-17(15)14-2-4-16(18)5-3-14/h2-5,8-10,24H,6-7,11-12H2,1H3,(H,19,21)
InChIKeyWCRGILNWCBHFRZ-UHFFFAOYSA-N
XLogP1.94
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 110932126
2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 107485701
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 46993916
2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol
CID 110928875
N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 3914171
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515649
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
CID 46998465
3-[(1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109884
N'-benzyl-N'-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 1096827
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (CID 46995292) is 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is Cn1cc(CN(CCO)Cc2cn[nH]c2-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The InChIKey is WCRGILNWCBHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-22-10-13(8-20-22)11-23(6-7-24)12-15-9-19-21-17(15)14-2-4-16(18)5-3-14/h2-5,8-10,24H,6-7,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol has a molecular weight of 329.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 46995292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).