4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol

C14H18N4O2 — CID 141147032

IUPAC4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol
SMILESC=CCc1cc(Nc2c(N)cnn2CCO)ccc1O
InChIInChI=1S/C14H18N4O2/c1-2-3-10-8-11(4-5-13(10)20)17-14-12(15)9-16-18(14)6-7-19/h2,4-5,8-9,17,19-20H,1,3,6-7,15H2
InChIKeyXXYOBLDUGDSXAC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.64
Rot. Bonds6

About 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol

4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol (PubChem CID 141147032) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol
PubChem CID141147032
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol
SMILESC=CCc1cc(Nc2c(N)cnn2CCO)ccc1O
InChIInChI=1S/C14H18N4O2/c1-2-3-10-8-11(4-5-13(10)20)17-14-12(15)9-16-18(14)6-7-19/h2,4-5,8-9,17,19-20H,1,3,6-7,15H2
InChIKeyXXYOBLDUGDSXAC-UHFFFAOYSA-N
XLogP1.64
TPSA96.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
CID 22918623
2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol
CID 68563050
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
CID 58914000
2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621
4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol
CID 130657351
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
CID 12641154
4-(1-aminoethyl)-2-prop-2-enylphenol
CID 54848971
2-prop-2-enyl-4-trimethoxysilylphenol
CID 139623862
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
2,4,5-tris(prop-2-enyl)phenol
CID 20562879

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol?
The IUPAC name of 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol (CID 141147032) is 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol?
The canonical SMILES for 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol is C=CCc1cc(Nc2c(N)cnn2CCO)ccc1O.
What is the InChIKey of 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol?
The InChIKey is XXYOBLDUGDSXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-3-10-8-11(4-5-13(10)20)17-14-12(15)9-16-18(14)6-7-19/h2,4-5,8-9,17,19-20H,1,3,6-7,15H2.
What are the key properties of 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol?
4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol has a molecular weight of 274.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-2-prop-2-enylphenol is sourced from PubChem (CID 141147032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).