2-(1-phenylpyrazol-3-yl)-4-propylphenol

C18H18N2O — CID 155529835

IUPAC2-(1-phenylpyrazol-3-yl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H18N2O/c1-2-6-14-9-10-18(21)16(13-14)17-11-12-20(19-17)15-7-4-3-5-8-15/h3-5,7-13,21H,2,6H2,1H3
InChIKeyUFKBBTCFBAMKRU-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.20
Rot. Bonds4

About 2-(1-phenylpyrazol-3-yl)-4-propylphenol

2-(1-phenylpyrazol-3-yl)-4-propylphenol (PubChem CID 155529835) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-3-yl)-4-propylphenol.

Molecular Properties

Compound Name2-(1-phenylpyrazol-3-yl)-4-propylphenol
PubChem CID155529835
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(1-phenylpyrazol-3-yl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H18N2O/c1-2-6-14-9-10-18(21)16(13-14)17-11-12-20(19-17)15-7-4-3-5-8-15/h3-5,7-13,21H,2,6H2,1H3
InChIKeyUFKBBTCFBAMKRU-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-3-yl)-4-propylphenol?
The IUPAC name of 2-(1-phenylpyrazol-3-yl)-4-propylphenol (CID 155529835) is 2-(1-phenylpyrazol-3-yl)-4-propylphenol.
What is the SMILES notation for 2-(1-phenylpyrazol-3-yl)-4-propylphenol?
The canonical SMILES for 2-(1-phenylpyrazol-3-yl)-4-propylphenol is CCCc1ccc(O)c(-c2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(1-phenylpyrazol-3-yl)-4-propylphenol?
The InChIKey is UFKBBTCFBAMKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-6-14-9-10-18(21)16(13-14)17-11-12-20(19-17)15-7-4-3-5-8-15/h3-5,7-13,21H,2,6H2,1H3.
What are the key properties of 2-(1-phenylpyrazol-3-yl)-4-propylphenol?
2-(1-phenylpyrazol-3-yl)-4-propylphenol has a molecular weight of 278.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-3-yl)-4-propylphenol is sourced from PubChem (CID 155529835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).