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

C15H20N2O — CID 155544730

IUPAC4-propyl-2-(1-propylpyrazol-3-yl)phenol
SMILESCCCc1ccc(O)c(-c2ccn(CCC)n2)c1
InChIInChI=1S/C15H20N2O/c1-3-5-12-6-7-15(18)13(11-12)14-8-10-17(16-14)9-4-2/h6-8,10-11,18H,3-5,9H2,1-2H3
InChIKeyCSMCOMGJKOPCRL-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.62
Rot. Bonds5

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

4-propyl-2-(1-propylpyrazol-3-yl)phenol (PubChem CID 155544730) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-propyl-2-(1-propylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-propyl-2-(1-propylpyrazol-3-yl)phenol
PubChem CID155544730
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-propyl-2-(1-propylpyrazol-3-yl)phenol
SMILESCCCc1ccc(O)c(-c2ccn(CCC)n2)c1
InChIInChI=1S/C15H20N2O/c1-3-5-12-6-7-15(18)13(11-12)14-8-10-17(16-14)9-4-2/h6-8,10-11,18H,3-5,9H2,1-2H3
InChIKeyCSMCOMGJKOPCRL-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(1-propylpyrazol-3-yl)phenol?
The IUPAC name of 4-propyl-2-(1-propylpyrazol-3-yl)phenol (CID 155544730) is 4-propyl-2-(1-propylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-propyl-2-(1-propylpyrazol-3-yl)phenol?
The canonical SMILES for 4-propyl-2-(1-propylpyrazol-3-yl)phenol is CCCc1ccc(O)c(-c2ccn(CCC)n2)c1.
What is the InChIKey of 4-propyl-2-(1-propylpyrazol-3-yl)phenol?
The InChIKey is CSMCOMGJKOPCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-5-12-6-7-15(18)13(11-12)14-8-10-17(16-14)9-4-2/h6-8,10-11,18H,3-5,9H2,1-2H3.
What are the key properties of 4-propyl-2-(1-propylpyrazol-3-yl)phenol?
4-propyl-2-(1-propylpyrazol-3-yl)phenol has a molecular weight of 244.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(1-propylpyrazol-3-yl)phenol is sourced from PubChem (CID 155544730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).