N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide

C19H22BrN3O2 — CID 75234443

IUPACN-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)NCc3ccc(Br)cc3)NN2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-2-25-16-9-5-14(6-10-16)17-11-18(23-22-17)19(24)21-12-13-3-7-15(20)8-4-13/h3-10,17-18,22-23H,2,11-12H2,1H3,(H,21,24)
InChIKeyRFHGXNYVNDZMJY-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide

N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75234443) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75234443
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)NCc3ccc(Br)cc3)NN2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-2-25-16-9-5-14(6-10-16)17-11-18(23-22-17)19(24)21-12-13-3-7-15(20)8-4-13/h3-10,17-18,22-23H,2,11-12H2,1H3,(H,21,24)
InChIKeyRFHGXNYVNDZMJY-UHFFFAOYSA-N
XLogP3.07
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234440
5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75283635
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255208
5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
CID 75234244
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
N-(2,3-dichlorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254833
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
CID 78211548

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide (CID 75234443) is N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide is CCOc1ccc(C2CC(C(=O)NCc3ccc(Br)cc3)NN2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is RFHGXNYVNDZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-2-25-16-9-5-14(6-10-16)17-11-18(23-22-17)19(24)21-12-13-3-7-15(20)8-4-13/h3-10,17-18,22-23H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75234443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).