2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline

C17H25N5 — CID 171118314

IUPAC2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
SMILESCC(C)N1CCN(c2ccc(N)c(-c3cnn(C)c3)c2)CC1
InChIInChI=1S/C17H25N5/c1-13(2)21-6-8-22(9-7-21)15-4-5-17(18)16(10-15)14-11-19-20(3)12-14/h4-5,10-13H,6-9,18H2,1-3H3
InChIKeyGAORBUXHBNIEMQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.20
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline

2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline (PubChem CID 171118314) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
PubChem CID171118314
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
SMILESCC(C)N1CCN(c2ccc(N)c(-c3cnn(C)c3)c2)CC1
InChIInChI=1S/C17H25N5/c1-13(2)21-6-8-22(9-7-21)15-4-5-17(18)16(10-15)14-11-19-20(3)12-14/h4-5,10-13H,6-9,18H2,1-3H3
InChIKeyGAORBUXHBNIEMQ-UHFFFAOYSA-N
XLogP2.20
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)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 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline (CID 171118314) is 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline is CC(C)N1CCN(c2ccc(N)c(-c3cnn(C)c3)c2)CC1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The InChIKey is GAORBUXHBNIEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13(2)21-6-8-22(9-7-21)15-4-5-17(18)16(10-15)14-11-19-20(3)12-14/h4-5,10-13H,6-9,18H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline has a molecular weight of 299.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline is sourced from PubChem (CID 171118314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).