1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol

C13H17N3O2 — CID 65361723

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cn[nH]c1N
InChIInChI=1S/C13H17N3O2/c1-8-3-4-12(18-2)9(5-8)6-11(17)10-7-15-16-13(10)14/h3-5,7,11,17H,6H2,1-2H3,(H3,14,15,16)
InChIKeyKJTLHAAIANWQOC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.59
Rot. Bonds4

About 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 65361723) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID65361723
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cn[nH]c1N
InChIInChI=1S/C13H17N3O2/c1-8-3-4-12(18-2)9(5-8)6-11(17)10-7-15-16-13(10)14/h3-5,7,11,17H,6H2,1-2H3,(H3,14,15,16)
InChIKeyKJTLHAAIANWQOC-UHFFFAOYSA-N
XLogP1.59
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
2-(2-methoxy-5-methylphenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104822975
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65362046
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 65362157
1-(3-ethylimidazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 66133516

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 65361723) is 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)c1cn[nH]c1N.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is KJTLHAAIANWQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-3-4-12(18-2)9(5-8)6-11(17)10-7-15-16-13(10)14/h3-5,7,11,17H,6H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 65361723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).