N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C22H24N6 — CID 29181043

IUPACN-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1c(CN(C)Cc2nncn2C)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H24N6/c1-17-20(14-26(2)15-21-24-23-16-27(21)3)22(18-10-6-4-7-11-18)25-28(17)19-12-8-5-9-13-19/h4-13,16H,14-15H2,1-3H3
InChIKeyXQYFGHWJUZTHQK-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 29181043) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID29181043
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC NameN-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1c(CN(C)Cc2nncn2C)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H24N6/c1-17-20(14-26(2)15-21-24-23-16-27(21)3)22(18-10-6-4-7-11-18)25-28(17)19-12-8-5-9-13-19/h4-13,16H,14-15H2,1-3H3
InChIKeyXQYFGHWJUZTHQK-UHFFFAOYSA-N
XLogP3.61
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]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-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 29181043) is N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1c(CN(C)Cc2nncn2C)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is XQYFGHWJUZTHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-17-20(14-26(2)15-21-24-23-16-27(21)3)22(18-10-6-4-7-11-18)25-28(17)19-12-8-5-9-13-19/h4-13,16H,14-15H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 372.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,3-diphenylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 29181043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).