2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol

C13H17N3O2 — CID 111467784

IUPAC2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
SMILESCOc1cccc(C(CO)NCc2ccn[nH]2)c1
InChIInChI=1S/C13H17N3O2/c1-18-12-4-2-3-10(7-12)13(9-17)14-8-11-5-6-15-16-11/h2-7,13-14,17H,8-9H2,1H3,(H,15,16)
InChIKeyZXVUHGNYTDLNFE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.24
Rot. Bonds6

About 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol

2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol (PubChem CID 111467784) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
PubChem CID111467784
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
SMILESCOc1cccc(C(CO)NCc2ccn[nH]2)c1
InChIInChI=1S/C13H17N3O2/c1-18-12-4-2-3-10(7-12)13(9-17)14-8-11-5-6-15-16-11/h2-7,13-14,17H,8-9H2,1H3,(H,15,16)
InChIKeyZXVUHGNYTDLNFE-UHFFFAOYSA-N
XLogP1.24
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol
CID 111467761
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477462
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
2-[[[2-hydroxy-1-(3-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 111467841
1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111346603
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
(1S)-1-(2-bromo-4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 99820499
1-(3-propan-2-yloxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111423579
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 61284688
2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61284476
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The IUPAC name of 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol (CID 111467784) is 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol is COc1cccc(C(CO)NCc2ccn[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The InChIKey is ZXVUHGNYTDLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-12-4-2-3-10(7-12)13(9-17)14-8-11-5-6-15-16-11/h2-7,13-14,17H,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol?
2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol is sourced from PubChem (CID 111467784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).