4-(1-ethyl-4-methylpyrazol-5-yl)phenol

C12H14N2O — CID 136765379

IUPAC4-(1-ethyl-4-methylpyrazol-5-yl)phenol
SMILESCCn1ncc(C)c1-c1ccc(O)cc1
InChIInChI=1S/C12H14N2O/c1-3-14-12(9(2)8-13-14)10-4-6-11(15)7-5-10/h4-8,15H,3H2,1-2H3
InChIKeyUBOXQRROCJQDSN-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.58
Rot. Bonds2

About 4-(1-ethyl-4-methylpyrazol-5-yl)phenol

4-(1-ethyl-4-methylpyrazol-5-yl)phenol (PubChem CID 136765379) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(1-ethyl-4-methylpyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-(1-ethyl-4-methylpyrazol-5-yl)phenol
PubChem CID136765379
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(1-ethyl-4-methylpyrazol-5-yl)phenol
SMILESCCn1ncc(C)c1-c1ccc(O)cc1
InChIInChI=1S/C12H14N2O/c1-3-14-12(9(2)8-13-14)10-4-6-11(15)7-5-10/h4-8,15H,3H2,1-2H3
InChIKeyUBOXQRROCJQDSN-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4-methylpyrazol-5-yl)phenol?
The IUPAC name of 4-(1-ethyl-4-methylpyrazol-5-yl)phenol (CID 136765379) is 4-(1-ethyl-4-methylpyrazol-5-yl)phenol.
What is the SMILES notation for 4-(1-ethyl-4-methylpyrazol-5-yl)phenol?
The canonical SMILES for 4-(1-ethyl-4-methylpyrazol-5-yl)phenol is CCn1ncc(C)c1-c1ccc(O)cc1.
What is the InChIKey of 4-(1-ethyl-4-methylpyrazol-5-yl)phenol?
The InChIKey is UBOXQRROCJQDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-14-12(9(2)8-13-14)10-4-6-11(15)7-5-10/h4-8,15H,3H2,1-2H3.
What are the key properties of 4-(1-ethyl-4-methylpyrazol-5-yl)phenol?
4-(1-ethyl-4-methylpyrazol-5-yl)phenol has a molecular weight of 202.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4-methylpyrazol-5-yl)phenol is sourced from PubChem (CID 136765379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).