N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide

C18H26N4O2 — CID 52989414

IUPACN-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C18H26N4O2/c23-17-9-5-2-6-11-22(17)12-10-19-18(24)16-13-15(20-21-16)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20-21H,2,5-6,9-13H2,(H,19,24)
InChIKeyGTWCDCZOYPFYGQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.11
Rot. Bonds5

About N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide

N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide (PubChem CID 52989414) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
PubChem CID52989414
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C18H26N4O2/c23-17-9-5-2-6-11-22(17)12-10-19-18(24)16-13-15(20-21-16)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20-21H,2,5-6,9-13H2,(H,19,24)
InChIKeyGTWCDCZOYPFYGQ-UHFFFAOYSA-N
XLogP1.11
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74653698
5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
CID 75272192
5-(4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolidine-3-carboxamide
CID 134080957
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 39514039
1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 51079964
1-(2-fluorophenyl)sulfonyl-N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-4-carboxamide
CID 39512997
N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 75355259
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]propanamide
CID 134127928
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide (CID 52989414) is N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide is O=C(NCCN1CCCCCC1=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is GTWCDCZOYPFYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17-9-5-2-6-11-22(17)12-10-19-18(24)16-13-15(20-21-16)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20-21H,2,5-6,9-13H2,(H,19,24).
What are the key properties of N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide?
N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 52989414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).