2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol

C15H21N3O — CID 112549620

IUPAC2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
SMILESCCc1nn(C)cc1CNc1ccc(CCO)cc1
InChIInChI=1S/C15H21N3O/c1-3-15-13(11-18(2)17-15)10-16-14-6-4-12(5-7-14)8-9-19/h4-7,11,16,19H,3,8-10H2,1-2H3
InChIKeyKBYZYBMRHNMYSA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds6

About 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol

2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol (PubChem CID 112549620) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
PubChem CID112549620
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
SMILESCCc1nn(C)cc1CNc1ccc(CCO)cc1
InChIInChI=1S/C15H21N3O/c1-3-15-13(11-18(2)17-15)10-16-14-6-4-12(5-7-14)8-9-19/h4-7,11,16,19H,3,8-10H2,1-2H3
InChIKeyKBYZYBMRHNMYSA-UHFFFAOYSA-N
XLogP2.13
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]acetonitrile
CID 75499917
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 109482212
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 43769110
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol (CID 112549620) is 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol is CCc1nn(C)cc1CNc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol?
The InChIKey is KBYZYBMRHNMYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15-13(11-18(2)17-15)10-16-14-6-4-12(5-7-14)8-9-19/h4-7,11,16,19H,3,8-10H2,1-2H3.
What are the key properties of 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol?
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 112549620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).