4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol

C13H17N3O2 — CID 136997969

IUPAC4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
SMILESCOc1cc(-c2cc(N)n(C)n2)c(C)c(C)c1O
InChIInChI=1S/C13H17N3O2/c1-7-8(2)13(17)11(18-4)5-9(7)10-6-12(14)16(3)15-10/h5-6,17H,14H2,1-4H3
InChIKeySUZPYINZGDNTPV-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.00
Rot. Bonds2

About 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol

4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol (PubChem CID 136997969) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
PubChem CID136997969
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
SMILESCOc1cc(-c2cc(N)n(C)n2)c(C)c(C)c1O
InChIInChI=1S/C13H17N3O2/c1-7-8(2)13(17)11(18-4)5-9(7)10-6-12(14)16(3)15-10/h5-6,17H,14H2,1-4H3
InChIKeySUZPYINZGDNTPV-UHFFFAOYSA-N
XLogP2.00
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117382584
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117478815
4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol
CID 136968286
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol (CID 136997969) is 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol is COc1cc(-c2cc(N)n(C)n2)c(C)c(C)c1O.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol?
The InChIKey is SUZPYINZGDNTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-8(2)13(17)11(18-4)5-9(7)10-6-12(14)16(3)15-10/h5-6,17H,14H2,1-4H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol?
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol has a molecular weight of 247.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol is sourced from PubChem (CID 136997969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).