2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol

C16H23N3O2 — CID 110010841

IUPAC2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
SMILESCc1c(C(C)NCc2ccccc2OCCO)cnn1C
InChIInChI=1S/C16H23N3O2/c1-12(15-11-18-19(3)13(15)2)17-10-14-6-4-5-7-16(14)21-9-8-20/h4-7,11-12,17,20H,8-10H2,1-3H3
InChIKeyWQOWNDZZHBFIRV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.95
Rot. Bonds7

About 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol

2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol (PubChem CID 110010841) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
PubChem CID110010841
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
SMILESCc1c(C(C)NCc2ccccc2OCCO)cnn1C
InChIInChI=1S/C16H23N3O2/c1-12(15-11-18-19(3)13(15)2)17-10-14-6-4-5-7-16(14)21-9-8-20/h4-7,11-12,17,20H,8-10H2,1-3H3
InChIKeyWQOWNDZZHBFIRV-UHFFFAOYSA-N
XLogP1.95
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
2-[2-[[[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenoxy]ethanol
CID 26324737
2-[4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methoxyphenoxy]ethanol
CID 110010225
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43435895
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79889125
1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 19626634
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708616
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707
5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43751830
4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 19625137

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol (CID 110010841) is 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol is Cc1c(C(C)NCc2ccccc2OCCO)cnn1C.
What is the InChIKey of 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol?
The InChIKey is WQOWNDZZHBFIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(15-11-18-19(3)13(15)2)17-10-14-6-4-5-7-16(14)21-9-8-20/h4-7,11-12,17,20H,8-10H2,1-3H3.
What are the key properties of 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol?
2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol has a molecular weight of 289.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 110010841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).