3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol

C16H17N3O2 — CID 171827622

IUPAC3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1-n1nc(-c2ccco2)c(C)c1N
InChIInChI=1S/C16H17N3O2/c1-9-6-7-12(20)10(2)15(9)19-16(17)11(3)14(18-19)13-5-4-8-21-13/h4-8,20H,17H2,1-3H3
InChIKeyZDUBAADZZJEFLD-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.35
Rot. Bonds2

About 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol

3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol (PubChem CID 171827622) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol.

Molecular Properties

Compound Name3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol
PubChem CID171827622
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1-n1nc(-c2ccco2)c(C)c1N
InChIInChI=1S/C16H17N3O2/c1-9-6-7-12(20)10(2)15(9)19-16(17)11(3)14(18-19)13-5-4-8-21-13/h4-8,20H,17H2,1-3H3
InChIKeyZDUBAADZZJEFLD-UHFFFAOYSA-N
XLogP3.35
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide
CID 171827510
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide
CID 171827629
3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370391
5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
CID 22310098
3-(furan-2-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 62830832
3-(3-chloro-4-methylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370656
4-(furan-2-yl)-1,3-oxazol-5-amine
CID 96636219
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
5-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22310084
6-chloro-2-(furan-2-yl)-4-methylpyridin-3-amine
CID 59355428
6-bromo-2-(furan-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83171050
6-bromo-2-(furan-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 79729151

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol?
The IUPAC name of 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol (CID 171827622) is 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol.
What is the SMILES notation for 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol?
The canonical SMILES for 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol is Cc1ccc(O)c(C)c1-n1nc(-c2ccco2)c(C)c1N.
What is the InChIKey of 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol?
The InChIKey is ZDUBAADZZJEFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-6-7-12(20)10(2)15(9)19-16(17)11(3)14(18-19)13-5-4-8-21-13/h4-8,20H,17H2,1-3H3.
What are the key properties of 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol?
3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol has a molecular weight of 283.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol is sourced from PubChem (CID 171827622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).