N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide

C19H22FN3O3 — CID 134079935

IUPACN-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
SMILESO=C(C1CC(c2ccccc2O)NN1)N(CCO)Cc1ccccc1F
InChIInChI=1S/C19H22FN3O3/c20-15-7-3-1-5-13(15)12-23(9-10-24)19(26)17-11-16(21-22-17)14-6-2-4-8-18(14)25/h1-8,16-17,21-22,24-25H,9-12H2
InChIKeyDQRFEPQWPGIPFC-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.46
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 134079935) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
PubChem CID134079935
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
SMILESO=C(C1CC(c2ccccc2O)NN1)N(CCO)Cc1ccccc1F
InChIInChI=1S/C19H22FN3O3/c20-15-7-3-1-5-13(15)12-23(9-10-24)19(26)17-11-16(21-22-17)14-6-2-4-8-18(14)25/h1-8,16-17,21-22,24-25H,9-12H2
InChIKeyDQRFEPQWPGIPFC-UHFFFAOYSA-N
XLogP1.46
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.46
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-(2-hydroxyphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
CID 134079829
cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 91774938
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 50980685
(2S)-N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 95144039
(2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide
CID 56712792
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
CID 134080022
5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 134080673
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 39347931
N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509953
N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119316064
N-[(2-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579164

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide (CID 134079935) is N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide is O=C(C1CC(c2ccccc2O)NN1)N(CCO)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is DQRFEPQWPGIPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-15-7-3-1-5-13(15)12-23(9-10-24)19(26)17-11-16(21-22-17)14-6-2-4-8-18(14)25/h1-8,16-17,21-22,24-25H,9-12H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134079935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).