N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine

C23H26N4 — CID 74414644

IUPACN-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
SMILESc1ccc(-c2ccc(C3NNCC3CNCCc3ccncc3)cc2)cc1
InChIInChI=1S/C23H26N4/c1-2-4-19(5-3-1)20-6-8-21(9-7-20)23-22(17-26-27-23)16-25-15-12-18-10-13-24-14-11-18/h1-11,13-14,22-23,25-27H,12,15-17H2
InChIKeyPIWULVMVIPGXHO-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.35
Rot. Bonds7

About N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine

N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine (PubChem CID 74414644) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
PubChem CID74414644
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC NameN-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
SMILESc1ccc(-c2ccc(C3NNCC3CNCCc3ccncc3)cc2)cc1
InChIInChI=1S/C23H26N4/c1-2-4-19(5-3-1)20-6-8-21(9-7-20)23-22(17-26-27-23)16-25-15-12-18-10-13-24-14-11-18/h1-11,13-14,22-23,25-27H,12,15-17H2
InChIKeyPIWULVMVIPGXHO-UHFFFAOYSA-N
XLogP3.35
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.35
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

2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
CID 75266458
3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873394
2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide
CID 78339992
N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride
CID 52986379
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine
CID 75257296
2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
CID 52975595
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine
CID 74809884
1-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethyl]-4,6-dimethylpyrimidin-2-one
CID 75257347
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine
CID 74499611
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700658

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine (CID 74414644) is N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine is c1ccc(-c2ccc(C3NNCC3CNCCc3ccncc3)cc2)cc1.
What is the InChIKey of N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine?
The InChIKey is PIWULVMVIPGXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-2-4-19(5-3-1)20-6-8-21(9-7-20)23-22(17-26-27-23)16-25-15-12-18-10-13-24-14-11-18/h1-11,13-14,22-23,25-27H,12,15-17H2.
What are the key properties of N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine?
N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine has a molecular weight of 358.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 74414644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).