3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide

C17H25ClN4O2 — CID 134057576

IUPAC3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN4O2/c18-14-4-2-13(3-5-14)16-15(12-20-21-16)17(23)19-6-1-7-22-8-10-24-11-9-22/h2-5,15-16,20-21H,1,6-12H2,(H,19,23)
InChIKeyLBCDFRTUNVXLHA-UHFFFAOYSA-N
MW352.87 g/mol
LogP0.94
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide

3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide (PubChem CID 134057576) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide
PubChem CID134057576
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN4O2/c18-14-4-2-13(3-5-14)16-15(12-20-21-16)17(23)19-6-1-7-22-8-10-24-11-9-22/h2-5,15-16,20-21H,1,6-12H2,(H,19,23)
InChIKeyLBCDFRTUNVXLHA-UHFFFAOYSA-N
XLogP0.94
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide
CID 52976185
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
CID 88823559
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
(4aS,5S)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93122992
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide
CID 97266725
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564726
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564729
trans-(1S,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564727

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide (CID 134057576) is 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide?
The InChIKey is LBCDFRTUNVXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c18-14-4-2-13(3-5-14)16-15(12-20-21-16)17(23)19-6-1-7-22-8-10-24-11-9-22/h2-5,15-16,20-21H,1,6-12H2,(H,19,23).
What are the key properties of 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide?
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 134057576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).