1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C17H21N5 — CID 45205952

IUPAC1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCc1c(C(C)NCc2cnn(C)c2)cnn1-c1ccccc1
InChIInChI=1S/C17H21N5/c1-13(18-9-15-10-19-21(3)12-15)17-11-20-22(14(17)2)16-7-5-4-6-8-16/h4-8,10-13,18H,9H2,1-3H3
InChIKeyMATVSFUILULQHM-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.77
Rot. Bonds5

About 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 45205952) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID45205952
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCc1c(C(C)NCc2cnn(C)c2)cnn1-c1ccccc1
InChIInChI=1S/C17H21N5/c1-13(18-9-15-10-19-21(3)12-15)17-11-20-22(14(17)2)16-7-5-4-6-8-16/h4-8,10-13,18H,9H2,1-3H3
InChIKeyMATVSFUILULQHM-UHFFFAOYSA-N
XLogP2.77
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine 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 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 45205952) is 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is Cc1c(C(C)NCc2cnn(C)c2)cnn1-c1ccccc1.
What is the InChIKey of 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is MATVSFUILULQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-13(18-9-15-10-19-21(3)12-15)17-11-20-22(14(17)2)16-7-5-4-6-8-16/h4-8,10-13,18H,9H2,1-3H3.
What are the key properties of 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 45205952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).