4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol

C16H18N2O — CID 162357905

IUPAC4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol
SMILESC=Cc1cnn(CCc2ccc(O)cc2)c1/C=C\C
InChIInChI=1S/C16H18N2O/c1-3-5-16-14(4-2)12-17-18(16)11-10-13-6-8-15(19)9-7-13/h3-9,12,19H,2,10-11H2,1H3/b5-3-
InChIKeyCHWAXVVZICKXHF-HYXAFXHYSA-N
MW254.33 g/mol
LogP3.51
Rot. Bonds5

About 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol

4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol (PubChem CID 162357905) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol
PubChem CID162357905
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol
SMILESC=Cc1cnn(CCc2ccc(O)cc2)c1/C=C\C
InChIInChI=1S/C16H18N2O/c1-3-5-16-14(4-2)12-17-18(16)11-10-13-6-8-15(19)9-7-13/h3-9,12,19H,2,10-11H2,1H3/b5-3-
InChIKeyCHWAXVVZICKXHF-HYXAFXHYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
(E)-3-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 5736984
(E)-3-(1,3-dimethylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 5865241
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
{4-(4-methoxybenzyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methanol
CID 16190591
4-[(5S)-1-(4-fluorophenyl)spiro[4H-indazole-5,6'-cyclohexene]-1'-yl]phenol
CID 155548288
2-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)phenol
CID 2380220
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 5736857
4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol
CID 71607972
2,5-Difluoro-4-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-4-yl]-phenol
CID 86722114
1-(4-Hydroxybenzyl)pyrazole
CID 133412

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol (CID 162357905) is 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol is C=Cc1cnn(CCc2ccc(O)cc2)c1/C=C\C.
What is the InChIKey of 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol?
The InChIKey is CHWAXVVZICKXHF-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-5-16-14(4-2)12-17-18(16)11-10-13-6-8-15(19)9-7-13/h3-9,12,19H,2,10-11H2,1H3/b5-3-.
What are the key properties of 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol?
4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol has a molecular weight of 254.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol is sourced from PubChem (CID 162357905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).