2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol

C13H17N3O — CID 83823935

IUPAC2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1cc(C)n(-c2ccccc2C(O)CN)n1
InChIInChI=1S/C13H17N3O/c1-9-7-10(2)16(15-9)12-6-4-3-5-11(12)13(17)8-14/h3-7,13,17H,8,14H2,1-2H3
InChIKeyGEJABMPXLCVPBB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol

2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol (PubChem CID 83823935) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
PubChem CID83823935
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1cc(C)n(-c2ccccc2C(O)CN)n1
InChIInChI=1S/C13H17N3O/c1-9-7-10(2)16(15-9)12-6-4-3-5-11(12)13(17)8-14/h3-7,13,17H,8,14H2,1-2H3
InChIKeyGEJABMPXLCVPBB-UHFFFAOYSA-N
XLogP1.48
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 28602187
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
2-amino-1-(2-methylpyrazolo[1,5-a]pyridin-4-yl)ethanol
CID 83877804
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
CID 12718144
(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 55184508
1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 82970956
(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119340285
(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
CID 96762406

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol (CID 83823935) is 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol is Cc1cc(C)n(-c2ccccc2C(O)CN)n1.
What is the InChIKey of 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is GEJABMPXLCVPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-10(2)16(15-9)12-6-4-3-5-11(12)13(17)8-14/h3-7,13,17H,8,14H2,1-2H3.
What are the key properties of 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 83823935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).