5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide

C14H20ClN3O2 — CID 52978511

IUPAC5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C14H20ClN3O2/c1-20-8-4-7-16-14(19)13-9-12(17-18-13)10-5-2-3-6-11(10)15/h2-3,5-6,12-13,17-18H,4,7-9H2,1H3,(H,16,19)
InChIKeyAFBTZXCXYRQXDQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.40
Rot. Bonds6

About 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide (PubChem CID 52978511) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
PubChem CID52978511
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C14H20ClN3O2/c1-20-8-4-7-16-14(19)13-9-12(17-18-13)10-5-2-3-6-11(10)15/h2-3,5-6,12-13,17-18H,4,7-9H2,1H3,(H,16,19)
InChIKeyAFBTZXCXYRQXDQ-UHFFFAOYSA-N
XLogP1.40
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339
methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74623743
N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
CID 74537316
5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
CID 75255190
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254786
5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
CID 75254788
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133253
5-(2-chlorophenyl)-N-(2,4-dimethylphenyl)pyrazolidine-3-carboxamide
CID 75254752
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide (CID 52978511) is 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide is COCCCNC(=O)C1CC(c2ccccc2Cl)NN1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide?
The InChIKey is AFBTZXCXYRQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-8-4-7-16-14(19)13-9-12(17-18-13)10-5-2-3-6-11(10)15/h2-3,5-6,12-13,17-18H,4,7-9H2,1H3,(H,16,19).
What are the key properties of 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 52978511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).