N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide

C21H25N3O3 — CID 134079829

IUPACN-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
SMILESO=C(C1CC(c2ccccc2O)NN1)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C21H25N3O3/c25-14-13-24(12-6-9-16-7-2-1-3-8-16)21(27)19-15-18(22-23-19)17-10-4-5-11-20(17)26/h1-11,18-19,22-23,25-26H,12-15H2/b9-6+
InChIKeyOPTPEYUAPVBCCK-RMKNXTFCSA-N
MW367.45 g/mol
LogP1.83
Rot. Bonds7

About N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide

N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide (PubChem CID 134079829) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
PubChem CID134079829
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
SMILESO=C(C1CC(c2ccccc2O)NN1)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C21H25N3O3/c25-14-13-24(12-6-9-16-7-2-1-3-8-16)21(27)19-15-18(22-23-19)17-10-4-5-11-20(17)26/h1-11,18-19,22-23,25-26H,12-15H2/b9-6+
InChIKeyOPTPEYUAPVBCCK-RMKNXTFCSA-N
XLogP1.83
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
CID 133108315
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
CID 134079935
(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 119069267
cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
CID 133119161
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931982
N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 91940787
N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide
CID 50962725
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 131895344

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide (CID 134079829) is N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide is O=C(C1CC(c2ccccc2O)NN1)N(C/C=C/c1ccccc1)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide?
The InChIKey is OPTPEYUAPVBCCK-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-14-13-24(12-6-9-16-7-2-1-3-8-16)21(27)19-15-18(22-23-19)17-10-4-5-11-20(17)26/h1-11,18-19,22-23,25-26H,12-15H2/b9-6+.
What are the key properties of N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide?
N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134079829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).