2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol

C11H13N3O2 — CID 136993747

IUPAC2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
SMILESCOc1cc(-c2cc(N)n[nH]2)c(O)cc1C
InChIInChI=1S/C11H13N3O2/c1-6-3-9(15)7(4-10(6)16-2)8-5-11(12)14-13-8/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyHZAUGYSFRNEJSS-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds2

About 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol

2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol (PubChem CID 136993747) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
PubChem CID136993747
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
SMILESCOc1cc(-c2cc(N)n[nH]2)c(O)cc1C
InChIInChI=1S/C11H13N3O2/c1-6-3-9(15)7(4-10(6)16-2)8-5-11(12)14-13-8/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyHZAUGYSFRNEJSS-UHFFFAOYSA-N
XLogP1.68
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
methyl 5-(3-amino-1H-pyrazol-5-yl)-4-hydroxy-2-methoxybenzoate
CID 137004785
2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol
CID 136993746
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 136963394
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
2-[5-(2-hydroxy-5-methoxy-4-methylphenyl)-2,4-dimethoxyphenyl]-4-methoxy-5-methylphenol
CID 132572459
5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
CID 113452627

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol (CID 136993747) is 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol is COc1cc(-c2cc(N)n[nH]2)c(O)cc1C.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol?
The InChIKey is HZAUGYSFRNEJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-3-9(15)7(4-10(6)16-2)8-5-11(12)14-13-8/h3-5,15H,1-2H3,(H3,12,13,14).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol?
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol has a molecular weight of 219.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol is sourced from PubChem (CID 136993747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).