5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide

C17H21N5O2 — CID 134077005

IUPAC5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide
SMILESO=C(NCCNc1cccnc1)C1CC(c2ccc(O)cc2)NN1
InChIInChI=1S/C17H21N5O2/c23-14-5-3-12(4-6-14)15-10-16(22-21-15)17(24)20-9-8-19-13-2-1-7-18-11-13/h1-7,11,15-16,19,21-23H,8-10H2,(H,20,24)
InChIKeyBWZJEHQRWSUNBW-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.92
Rot. Bonds6

About 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide

5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide (PubChem CID 134077005) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide
PubChem CID134077005
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide
SMILESO=C(NCCNc1cccnc1)C1CC(c2ccc(O)cc2)NN1
InChIInChI=1S/C17H21N5O2/c23-14-5-3-12(4-6-14)15-10-16(22-21-15)17(24)20-9-8-19-13-2-1-7-18-11-13/h1-7,11,15-16,19,21-23H,8-10H2,(H,20,24)
InChIKeyBWZJEHQRWSUNBW-UHFFFAOYSA-N
XLogP0.92
TPSA98.31 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide
CID 76532392
5-(4-hydroxyphenyl)-N-[(1-phenylcyclopentyl)methyl]pyrazolidine-3-carboxamide
CID 134081161
5-(4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolidine-3-carboxamide
CID 134080957
N-[2-(4-methoxyphenyl)sulfonylethyl]-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 134086318
N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75975474
5-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-3-carboxamide
CID 134086296
5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide
CID 134086325
5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74658751
5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide
CID 134080644
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide
CID 134080643
5-(4-bromophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolidine-3-carboxamide
CID 52987338

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide (CID 134077005) is 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide is O=C(NCCNc1cccnc1)C1CC(c2ccc(O)cc2)NN1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide?
The InChIKey is BWZJEHQRWSUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-14-5-3-12(4-6-14)15-10-16(22-21-15)17(24)20-9-8-19-13-2-1-7-18-11-13/h1-7,11,15-16,19,21-23H,8-10H2,(H,20,24).
What are the key properties of 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide?
5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.92, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134077005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).