N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine

C21H25N5O — CID 74499611

IUPACN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine
SMILESCc1nonc1CN(C)CC1CNNC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N5O/c1-15-20(25-27-24-15)14-26(2)13-19-12-22-23-21(19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19,21-23H,12-14H2,1-2H3
InChIKeyHNFUXMXFYWDJDK-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine

N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine (PubChem CID 74499611) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine
PubChem CID74499611
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine
SMILESCc1nonc1CN(C)CC1CNNC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N5O/c1-15-20(25-27-24-15)14-26(2)13-19-12-22-23-21(19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19,21-23H,12-14H2,1-2H3
InChIKeyHNFUXMXFYWDJDK-UHFFFAOYSA-N
XLogP2.94
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine?
The IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine (CID 74499611) is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine is Cc1nonc1CN(C)CC1CNNC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine?
The InChIKey is HNFUXMXFYWDJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-20(25-27-24-15)14-26(2)13-19-12-22-23-21(19)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19,21-23H,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine?
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine has a molecular weight of 363.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-[3-(4-phenylphenyl)pyrazolidin-4-yl]methanamine is sourced from PubChem (CID 74499611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).