2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol

C16H23N3O — CID 117436539

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(C(C)C)c(-c2cnn(C)c2N)c1O
InChIInChI=1S/C16H23N3O/c1-9(2)11-6-7-12(10(3)4)15(20)14(11)13-8-18-19(5)16(13)17/h6-10,20H,17H2,1-5H3
InChIKeyCTZFJDSEBNKVJC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.62
Rot. Bonds3

About 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol

2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol (PubChem CID 117436539) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol
PubChem CID117436539
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(C(C)C)c(-c2cnn(C)c2N)c1O
InChIInChI=1S/C16H23N3O/c1-9(2)11-6-7-12(10(3)4)15(20)14(11)13-8-18-19(5)16(13)17/h6-10,20H,17H2,1-5H3
InChIKeyCTZFJDSEBNKVJC-UHFFFAOYSA-N
XLogP3.62
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dimethoxy-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117440661
4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117402644
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113
4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117397196
4-(5-ethyl-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117360841
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol
CID 117494973
2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
CID 115112480
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol
CID 117350179
2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol (CID 117436539) is 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol is CC(C)c1ccc(C(C)C)c(-c2cnn(C)c2N)c1O.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol?
The InChIKey is CTZFJDSEBNKVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-9(2)11-6-7-12(10(3)4)15(20)14(11)13-8-18-19(5)16(13)17/h6-10,20H,17H2,1-5H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol?
2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol has a molecular weight of 273.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol is sourced from PubChem (CID 117436539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).