2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol

C17H25N3O — CID 109482212

IUPAC2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
SMILESCCc1nn(C)c(CC)c1CNc1ccc(CCO)cc1
InChIInChI=1S/C17H25N3O/c1-4-16-15(17(5-2)20(3)19-16)12-18-14-8-6-13(7-9-14)10-11-21/h6-9,18,21H,4-5,10-12H2,1-3H3
InChIKeyRVZJLCHMEAGOKR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.69
Rot. Bonds7

About 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol

2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol (PubChem CID 109482212) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
PubChem CID109482212
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
SMILESCCc1nn(C)c(CC)c1CNc1ccc(CCO)cc1
InChIInChI=1S/C17H25N3O/c1-4-16-15(17(5-2)20(3)19-16)12-18-14-8-6-13(7-9-14)10-11-21/h6-9,18,21H,4-5,10-12H2,1-3H3
InChIKeyRVZJLCHMEAGOKR-UHFFFAOYSA-N
XLogP2.69
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 112549620
3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 75433082
2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol
CID 66118765
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 109401155
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 109401154
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 154752899
2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709411
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 109401742
3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 139008143
[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
CID 115777892
2-[4-[(2,3,6-trichlorophenyl)methylamino]phenyl]ethanol
CID 78968853
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 109401559

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol (CID 109482212) is 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol is CCc1nn(C)c(CC)c1CNc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol?
The InChIKey is RVZJLCHMEAGOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-16-15(17(5-2)20(3)19-16)12-18-14-8-6-13(7-9-14)10-11-21/h6-9,18,21H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol?
2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol has a molecular weight of 287.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 109482212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).