1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine

C23H33N3O4 — CID 20519799

IUPAC1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine
SMILESCOc1ccc(CCN2CC(N)CN2CCc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C23H33N3O4/c1-27-20-7-5-17(22(13-20)29-3)9-11-25-15-19(24)16-26(25)12-10-18-6-8-21(28-2)14-23(18)30-4/h5-8,13-14,19H,9-12,15-16,24H2,1-4H3
InChIKeyKDKXXTOBMUWVOF-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.37
Rot. Bonds10

About 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine

1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine (PubChem CID 20519799) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine.

Molecular Properties

Compound Name1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine
PubChem CID20519799
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine
SMILESCOc1ccc(CCN2CC(N)CN2CCc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C23H33N3O4/c1-27-20-7-5-17(22(13-20)29-3)9-11-25-15-19(24)16-26(25)12-10-18-6-8-21(28-2)14-23(18)30-4/h5-8,13-14,19H,9-12,15-16,24H2,1-4H3
InChIKeyKDKXXTOBMUWVOF-UHFFFAOYSA-N
XLogP2.37
TPSA69.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene
CID 64507317
(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 129388716
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-oxazepine
CID 142727970

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine?
The IUPAC name of 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine (CID 20519799) is 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine.
What is the SMILES notation for 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine?
The canonical SMILES for 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine is COc1ccc(CCN2CC(N)CN2CCc2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine?
The InChIKey is KDKXXTOBMUWVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-27-20-7-5-17(22(13-20)29-3)9-11-25-15-19(24)16-26(25)12-10-18-6-8-21(28-2)14-23(18)30-4/h5-8,13-14,19H,9-12,15-16,24H2,1-4H3.
What are the key properties of 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine?
1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine has a molecular weight of 415.53 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine is sourced from PubChem (CID 20519799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).