3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

C17H23N5S — CID 16676789

IUPAC3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cnn(C)c2)s1
InChIInChI=1S/C17H23N5S/c1-15-4-5-17(23-15)13-22(12-16-10-19-20(2)11-16)8-3-7-21-9-6-18-14-21/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3
InChIKeyWBOUSMZQVVKHQQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.08
Rot. Bonds8

About 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 16676789) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID16676789
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cnn(C)c2)s1
InChIInChI=1S/C17H23N5S/c1-15-4-5-17(23-15)13-22(12-16-10-19-20(2)11-16)8-3-7-21-9-6-18-14-21/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3
InChIKeyWBOUSMZQVVKHQQ-UHFFFAOYSA-N
XLogP3.08
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 16676789) is 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cnn(C)c2)s1.
What is the InChIKey of 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is WBOUSMZQVVKHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-15-4-5-17(23-15)13-22(12-16-10-19-20(2)11-16)8-3-7-21-9-6-18-14-21/h4-6,9-11,14H,3,7-8,12-13H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 329.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16676789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).