4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol

C14H14N2O — CID 155523026

IUPAC4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
SMILESC=CCn1ccc(-c2cc(C=C)ccc2O)n1
InChIInChI=1S/C14H14N2O/c1-3-8-16-9-7-13(15-16)12-10-11(4-2)5-6-14(12)17/h3-7,9-10,17H,1-2,8H2
InChIKeyNAWKBCKEBZYTCK-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.08
Rot. Bonds4

About 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol

4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol (PubChem CID 155523026) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
PubChem CID155523026
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
SMILESC=CCn1ccc(-c2cc(C=C)ccc2O)n1
InChIInChI=1S/C14H14N2O/c1-3-8-16-9-7-13(15-16)12-10-11(4-2)5-6-14(12)17/h3-7,9-10,17H,1-2,8H2
InChIKeyNAWKBCKEBZYTCK-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
SMARCA2/4-ligand-6
CID 137029367
2-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)phenol
CID 2380220
4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol
CID 71607972
1-(4-Hydroxybenzyl)pyrazole
CID 133412
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
2-[1-Methyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
CID 972477
2,6-Di-tert-butyl-4-[2-(1,5-dimethyl-1H-pyrazol-3-yl)-vinyl]-phenol
CID 135827482
2,6-Di-tert-butyl-4-[2-(2,5-dimethyl-2H-pyrazol-3-yl)-vinyl]-phenol
CID 135827490
4-(2-Methoxy-5-prop-2-enylphenyl)-2-(1-methylpyrazol-3-yl)phenol
CID 136008234

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The IUPAC name of 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol (CID 155523026) is 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The canonical SMILES for 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol is C=CCn1ccc(-c2cc(C=C)ccc2O)n1.
What is the InChIKey of 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The InChIKey is NAWKBCKEBZYTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-8-16-9-7-13(15-16)12-10-11(4-2)5-6-14(12)17/h3-7,9-10,17H,1-2,8H2.
What are the key properties of 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol?
4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol has a molecular weight of 226.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(1-prop-2-enylpyrazol-3-yl)phenol is sourced from PubChem (CID 155523026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).