N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide

C22H27N3O2 — CID 133108315

IUPACN-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)N(C/C=C/c3ccccc3)CCO)NN2)cc1
InChIInChI=1S/C22H27N3O2/c1-17-9-11-19(12-10-17)20-16-21(24-23-20)22(27)25(14-15-26)13-5-8-18-6-3-2-4-7-18/h2-12,20-21,23-24,26H,13-16H2,1H3/b8-5+
InChIKeyGAISNRBYSZSHDY-VMPITWQZSA-N
MW365.48 g/mol
LogP2.44
Rot. Bonds7

About N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide

N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide (PubChem CID 133108315) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
PubChem CID133108315
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)N(C/C=C/c3ccccc3)CCO)NN2)cc1
InChIInChI=1S/C22H27N3O2/c1-17-9-11-19(12-10-17)20-16-21(24-23-20)22(27)25(14-15-26)13-5-8-18-6-3-2-4-7-18/h2-12,20-21,23-24,26H,13-16H2,1H3/b8-5+
InChIKeyGAISNRBYSZSHDY-VMPITWQZSA-N
XLogP2.44
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
CID 134079829
N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 85482644
(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
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72890883
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide (CID 133108315) is N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide is Cc1ccc(C2CC(C(=O)N(C/C=C/c3ccccc3)CCO)NN2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide?
The InChIKey is GAISNRBYSZSHDY-VMPITWQZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-9-11-19(12-10-17)20-16-21(24-23-20)22(27)25(14-15-26)13-5-8-18-6-3-2-4-7-18/h2-12,20-21,23-24,26H,13-16H2,1H3/b8-5+.
What are the key properties of N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide?
N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 133108315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).