4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol

C13H17N3O — CID 117334699

IUPAC4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
SMILESCCc1cc(-c2cnn(C)c2N)c(C)cc1O
InChIInChI=1S/C13H17N3O/c1-4-9-6-10(8(2)5-12(9)17)11-7-15-16(3)13(11)14/h5-7,17H,4,14H2,1-3H3
InChIKeyJRCDMGNHQJBACV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.25
Rot. Bonds2

About 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol

4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol (PubChem CID 117334699) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
PubChem CID117334699
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
SMILESCCc1cc(-c2cnn(C)c2N)c(C)cc1O
InChIInChI=1S/C13H17N3O/c1-4-9-6-10(8(2)5-12(9)17)11-7-15-16(3)13(11)14/h5-7,17H,4,14H2,1-3H3
InChIKeyJRCDMGNHQJBACV-UHFFFAOYSA-N
XLogP2.25
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117338339
4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348200
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117331158
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
CID 117291763
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476513
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol (CID 117334699) is 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol is CCc1cc(-c2cnn(C)c2N)c(C)cc1O.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol?
The InChIKey is JRCDMGNHQJBACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-9-6-10(8(2)5-12(9)17)11-7-15-16(3)13(11)14/h5-7,17H,4,14H2,1-3H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol?
4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol has a molecular weight of 231.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol is sourced from PubChem (CID 117334699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).