2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine

C16H23N3 — CID 107331259

IUPAC2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1ccnn1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(2)17-12-14(3)11-16-9-10-18-19(16)15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3
InChIKeyUYGHSNTVNDBAPT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.05
Rot. Bonds6

About 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine

2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 107331259) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID107331259
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1ccnn1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(2)17-12-14(3)11-16-9-10-18-19(16)15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3
InChIKeyUYGHSNTVNDBAPT-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine 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-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine (CID 107331259) is 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)Cc1ccnn1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is UYGHSNTVNDBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)17-12-14(3)11-16-9-10-18-19(16)15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3.
What are the key properties of 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine?
2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 107331259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).