N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide

C17H22N4O2 — CID 133108556

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C17H22N4O2/c22-16-8-12(10-21(16)13-6-7-13)18-17(23)15-9-14(19-20-15)11-4-2-1-3-5-11/h1-5,12-15,19-20H,6-10H2,(H,18,23)
InChIKeyZYDJXKJJXHFVTA-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.47
Rot. Bonds4

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 133108556) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID133108556
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C17H22N4O2/c22-16-8-12(10-21(16)13-6-7-13)18-17(23)15-9-14(19-20-15)11-4-2-1-3-5-11/h1-5,12-15,19-20H,6-10H2,(H,18,23)
InChIKeyZYDJXKJJXHFVTA-UHFFFAOYSA-N
XLogP0.47
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolidine-3-carboxamide
CID 52986688
5-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)pyrazolidine-3-carboxamide
CID 133108668
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
5-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolidine-3-carboxamide
CID 134080246
N-(1-cyclopropylpiperidin-4-yl)-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75617543
(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 95985178
N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide
CID 52991115
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110016100
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 95985176
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide (CID 133108556) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide is O=C(NC1CC(=O)N(C2CC2)C1)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is ZYDJXKJJXHFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-16-8-12(10-21(16)13-6-7-13)18-17(23)15-9-14(19-20-15)11-4-2-1-3-5-11/h1-5,12-15,19-20H,6-10H2,(H,18,23).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 133108556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).