4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol

C13H17N3O — CID 83987249

IUPAC4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
SMILESCc1cc(C(CN)c2ccc(O)cc2)n(C)n1
InChIInChI=1S/C13H17N3O/c1-9-7-13(16(2)15-9)12(8-14)10-3-5-11(17)6-4-10/h3-7,12,17H,8,14H2,1-2H3
InChIKeyMEZOGKAUBIIACA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.52
Rot. Bonds3

About 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol

4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol (PubChem CID 83987249) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
PubChem CID83987249
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
SMILESCc1cc(C(CN)c2ccc(O)cc2)n(C)n1
InChIInChI=1S/C13H17N3O/c1-9-7-13(16(2)15-9)12(8-14)10-3-5-11(17)6-4-10/h3-7,12,17H,8,14H2,1-2H3
InChIKeyMEZOGKAUBIIACA-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine
CID 83986622
3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 82601652
2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
CID 83827000
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
CID 83987721
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986514
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine
CID 83986380
2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83986338
(2,5-dimethylpyrazol-3-yl)-phenylmethanol
CID 105076375
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 83987557
(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methanol
CID 107562168

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol?
The IUPAC name of 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol (CID 83987249) is 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol?
The canonical SMILES for 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol is Cc1cc(C(CN)c2ccc(O)cc2)n(C)n1.
What is the InChIKey of 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol?
The InChIKey is MEZOGKAUBIIACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-13(16(2)15-9)12(8-14)10-3-5-11(17)6-4-10/h3-7,12,17H,8,14H2,1-2H3.
What are the key properties of 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol?
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol is sourced from PubChem (CID 83987249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).