3-(5-propan-2-ylpyrazol-1-yl)phenol

C12H14N2O — CID 84776764

IUPAC3-(5-propan-2-ylpyrazol-1-yl)phenol
SMILESCC(C)c1ccnn1-c1cccc(O)c1
InChIInChI=1S/C12H14N2O/c1-9(2)12-6-7-13-14(12)10-4-3-5-11(15)8-10/h3-9,15H,1-2H3
InChIKeyRSHIVCRZADRZLP-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.70
Rot. Bonds2

About 3-(5-propan-2-ylpyrazol-1-yl)phenol

3-(5-propan-2-ylpyrazol-1-yl)phenol (PubChem CID 84776764) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(5-propan-2-ylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name3-(5-propan-2-ylpyrazol-1-yl)phenol
PubChem CID84776764
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(5-propan-2-ylpyrazol-1-yl)phenol
SMILESCC(C)c1ccnn1-c1cccc(O)c1
InChIInChI=1S/C12H14N2O/c1-9(2)12-6-7-13-14(12)10-4-3-5-11(15)8-10/h3-9,15H,1-2H3
InChIKeyRSHIVCRZADRZLP-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-propan-2-ylpyrazol-1-yl)phenyl]ethanone
CID 84792242
3-(5-bromopyrazol-1-yl)phenol
CID 84701027
3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
CID 105472470
2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid
CID 20982103
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
3-[5-(2-hydroxypropyl)triazol-1-yl]phenol
CID 117167193
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309
1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 115031139
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde
CID 84783440

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-ylpyrazol-1-yl)phenol?
The IUPAC name of 3-(5-propan-2-ylpyrazol-1-yl)phenol (CID 84776764) is 3-(5-propan-2-ylpyrazol-1-yl)phenol.
What is the SMILES notation for 3-(5-propan-2-ylpyrazol-1-yl)phenol?
The canonical SMILES for 3-(5-propan-2-ylpyrazol-1-yl)phenol is CC(C)c1ccnn1-c1cccc(O)c1.
What is the InChIKey of 3-(5-propan-2-ylpyrazol-1-yl)phenol?
The InChIKey is RSHIVCRZADRZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(2)12-6-7-13-14(12)10-4-3-5-11(15)8-10/h3-9,15H,1-2H3.
What are the key properties of 3-(5-propan-2-ylpyrazol-1-yl)phenol?
3-(5-propan-2-ylpyrazol-1-yl)phenol has a molecular weight of 202.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-ylpyrazol-1-yl)phenol is sourced from PubChem (CID 84776764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).