1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine

C21H27N3O2 — CID 73304912

IUPAC1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine
SMILESCOc1ccc(C2(NCC3CNNC3c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-25-18-8-6-17(7-9-18)21(10-11-21)22-13-16-14-23-24-20(16)15-4-3-5-19(12-15)26-2/h3-9,12,16,20,22-24H,10-11,13-14H2,1-2H3
InChIKeyOGOMYPKGPUCHRC-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.75
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine

1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine (PubChem CID 73304912) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine
PubChem CID73304912
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine
SMILESCOc1ccc(C2(NCC3CNNC3c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-25-18-8-6-17(7-9-18)21(10-11-21)22-13-16-14-23-24-20(16)15-4-3-5-19(12-15)26-2/h3-9,12,16,20,22-24H,10-11,13-14H2,1-2H3
InChIKeyOGOMYPKGPUCHRC-UHFFFAOYSA-N
XLogP2.75
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine with MolForge

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Related Compounds

1-[3-(3-methoxyphenyl)pyrazolidin-4-yl]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]methanamine;hydrochloride
CID 52989641
4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol
CID 74804644
2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 74558078
3-[[[1-(4-methoxyphenyl)cyclopropyl]amino]methyl]benzoic acid
CID 122031051
N-[[3-(2-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(2-fluorophenyl)piperidin-4-amine
CID 74809274
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine
CID 42098289
1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
CID 52989806
(Z)-2-cyano-3-[3-(3-methoxyphenyl)pyrazolidin-4-yl]-N-(2-phenylethyl)prop-2-enamide
CID 52989571
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine (CID 73304912) is 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine is COc1ccc(C2(NCC3CNNC3c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine?
The InChIKey is OGOMYPKGPUCHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-25-18-8-6-17(7-9-18)21(10-11-21)22-13-16-14-23-24-20(16)15-4-3-5-19(12-15)26-2/h3-9,12,16,20,22-24H,10-11,13-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine?
1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine has a molecular weight of 353.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 73304912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).