3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol

C13H16N2O — CID 165460179

IUPAC3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol
SMILESCC(C)c1nn(C)cc1-c1cccc(O)c1
InChIInChI=1S/C13H16N2O/c1-9(2)13-12(8-15(3)14-13)10-5-4-6-11(16)7-10/h4-9,16H,1-3H3
InChIKeyDWNUFNGYEYSHDI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.92
Rot. Bonds2

About 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol

3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol (PubChem CID 165460179) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol
PubChem CID165460179
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol
SMILESCC(C)c1nn(C)cc1-c1cccc(O)c1
InChIInChI=1S/C13H16N2O/c1-9(2)13-12(8-15(3)14-13)10-5-4-6-11(16)7-10/h4-9,16H,1-3H3
InChIKeyDWNUFNGYEYSHDI-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
4-[3-(4-chlorophenyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 166333754
1-[3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]propan-1-one
CID 66008702
2-[3-hydroxy-5-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]acetic acid
CID 167883959
1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone
CID 66010362
4-[4-(bromomethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 165451622
5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 154770177
3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol
CID 105423248
4-fluoro-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)aniline
CID 66010551
N-[1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66010565
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 107525280
5-chloro-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)aniline
CID 81274679

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol?
The IUPAC name of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol (CID 165460179) is 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol.
What is the SMILES notation for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol?
The canonical SMILES for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol is CC(C)c1nn(C)cc1-c1cccc(O)c1.
What is the InChIKey of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol?
The InChIKey is DWNUFNGYEYSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)13-12(8-15(3)14-13)10-5-4-6-11(16)7-10/h4-9,16H,1-3H3.
What are the key properties of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol?
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol has a molecular weight of 216.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol is sourced from PubChem (CID 165460179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).