4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol

C18H24N2O — CID 135827485

IUPAC4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol
SMILESCc1cc(/C=C/c2cc(C(C)C)c(O)c(C(C)C)c2)n[nH]1
InChIInChI=1S/C18H24N2O/c1-11(2)16-9-14(10-17(12(3)4)18(16)21)6-7-15-8-13(5)19-20-15/h6-12,21H,1-5H3,(H,19,20)/b7-6+
InChIKeyVTXYVNRRDQIDHX-VOTSOKGWSA-N
MW284.40 g/mol
LogP4.84
Rot. Bonds4

About 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol

4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol (PubChem CID 135827485) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol
PubChem CID135827485
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol
SMILESCc1cc(/C=C/c2cc(C(C)C)c(O)c(C(C)C)c2)n[nH]1
InChIInChI=1S/C18H24N2O/c1-11(2)16-9-14(10-17(12(3)4)18(16)21)6-7-15-8-13(5)19-20-15/h6-12,21H,1-5H3,(H,19,20)/b7-6+
InChIKeyVTXYVNRRDQIDHX-VOTSOKGWSA-N
XLogP4.84
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-tert-Butyl-phenyl)-1H-pyrazol-3-yl]-phenol
CID 775984
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 690720
2-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 644655
2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775981
4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775994
2-[5-(3-Fluoro-phenyl)-1H-pyrazol-3-yl]-4-methyl-phenol
CID 776006

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol (CID 135827485) is 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol is Cc1cc(/C=C/c2cc(C(C)C)c(O)c(C(C)C)c2)n[nH]1.
What is the InChIKey of 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is VTXYVNRRDQIDHX-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11(2)16-9-14(10-17(12(3)4)18(16)21)6-7-15-8-13(5)19-20-15/h6-12,21H,1-5H3,(H,19,20)/b7-6+.
What are the key properties of 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol?
4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 284.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-methyl-1H-pyrazol-3-yl)ethenyl]-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 135827485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).