N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline

C17H25N5 — CID 84587099

IUPACN-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline
SMILESCN(CCN1CCN(c2cnn(C)c2)CC1)c1ccccc1
InChIInChI=1S/C17H25N5/c1-19(16-6-4-3-5-7-16)8-9-21-10-12-22(13-11-21)17-14-18-20(2)15-17/h3-7,14-15H,8-13H2,1-2H3
InChIKeyPLUIKZMGYFHDFE-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.68
Rot. Bonds5

About N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline

N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline (PubChem CID 84587099) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline
PubChem CID84587099
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline
SMILESCN(CCN1CCN(c2cnn(C)c2)CC1)c1ccccc1
InChIInChI=1S/C17H25N5/c1-19(16-6-4-3-5-7-16)8-9-21-10-12-22(13-11-21)17-14-18-20(2)15-17/h3-7,14-15H,8-13H2,1-2H3
InChIKeyPLUIKZMGYFHDFE-UHFFFAOYSA-N
XLogP1.68
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline 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-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline?
The IUPAC name of N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline (CID 84587099) is N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline.
What is the SMILES notation for N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline?
The canonical SMILES for N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline is CN(CCN1CCN(c2cnn(C)c2)CC1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline?
The InChIKey is PLUIKZMGYFHDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-19(16-6-4-3-5-7-16)8-9-21-10-12-22(13-11-21)17-14-18-20(2)15-17/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline?
N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline has a molecular weight of 299.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline is sourced from PubChem (CID 84587099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).