5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide

C18H22BrN3O3 — CID 74629806

IUPAC5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide
SMILESCOCCN(Cc1ccco1)C(=O)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C18H22BrN3O3/c1-24-10-8-22(12-15-3-2-9-25-15)18(23)17-11-16(20-21-17)13-4-6-14(19)7-5-13/h2-7,9,16-17,20-21H,8,10-12H2,1H3
InChIKeyBJDQNRPYUOZDTB-UHFFFAOYSA-N
MW408.30 g/mol
LogP2.62
Rot. Bonds7

About 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide (PubChem CID 74629806) has the molecular formula C18H22BrN3O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide
PubChem CID74629806
Molecular FormulaC18H22BrN3O3
Molecular Weight408.30 g/mol
Exact Mass407.08
IUPAC Name5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide
SMILESCOCCN(Cc1ccco1)C(=O)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C18H22BrN3O3/c1-24-10-8-22(12-15-3-2-9-25-15)18(23)17-11-16(20-21-17)13-4-6-14(19)7-5-13/h2-7,9,16-17,20-21H,8,10-12H2,1H3
InChIKeyBJDQNRPYUOZDTB-UHFFFAOYSA-N
XLogP2.62
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 85482644
4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 55587760
3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 60567081
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 93110246
1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 55690489
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74787202
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4029795
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide (CID 74629806) is 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide is COCCN(Cc1ccco1)C(=O)C1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide?
The InChIKey is BJDQNRPYUOZDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3/c1-24-10-8-22(12-15-3-2-9-25-15)18(23)17-11-16(20-21-17)13-4-6-14(19)7-5-13/h2-7,9,16-17,20-21H,8,10-12H2,1H3.
What are the key properties of 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 74629806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).