4-ethyl-2-(1-propylpyrazol-3-yl)phenol

C14H18N2O — CID 155530703

IUPAC4-ethyl-2-(1-propylpyrazol-3-yl)phenol
SMILESCCCn1ccc(-c2cc(CC)ccc2O)n1
InChIInChI=1S/C14H18N2O/c1-3-8-16-9-7-13(15-16)12-10-11(4-2)5-6-14(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyJKSNCJVVFCJPDY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.23
Rot. Bonds4

About 4-ethyl-2-(1-propylpyrazol-3-yl)phenol

4-ethyl-2-(1-propylpyrazol-3-yl)phenol (PubChem CID 155530703) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-ethyl-2-(1-propylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-ethyl-2-(1-propylpyrazol-3-yl)phenol
PubChem CID155530703
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-ethyl-2-(1-propylpyrazol-3-yl)phenol
SMILESCCCn1ccc(-c2cc(CC)ccc2O)n1
InChIInChI=1S/C14H18N2O/c1-3-8-16-9-7-13(15-16)12-10-11(4-2)5-6-14(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyJKSNCJVVFCJPDY-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-propylpyrazol-3-yl)phenol?
The IUPAC name of 4-ethyl-2-(1-propylpyrazol-3-yl)phenol (CID 155530703) is 4-ethyl-2-(1-propylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-ethyl-2-(1-propylpyrazol-3-yl)phenol?
The canonical SMILES for 4-ethyl-2-(1-propylpyrazol-3-yl)phenol is CCCn1ccc(-c2cc(CC)ccc2O)n1.
What is the InChIKey of 4-ethyl-2-(1-propylpyrazol-3-yl)phenol?
The InChIKey is JKSNCJVVFCJPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-8-16-9-7-13(15-16)12-10-11(4-2)5-6-14(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3.
What are the key properties of 4-ethyl-2-(1-propylpyrazol-3-yl)phenol?
4-ethyl-2-(1-propylpyrazol-3-yl)phenol has a molecular weight of 230.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-propylpyrazol-3-yl)phenol is sourced from PubChem (CID 155530703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).