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

C15H25N5 — CID 79238144

IUPAC2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1Cn1cncc1CNCC(C)C
InChIInChI=1S/C15H25N5/c1-11(2)6-16-7-14-8-17-10-20(14)9-15-12(3)18-19(5)13(15)4/h8,10-11,16H,6-7,9H2,1-5H3
InChIKeyBFUBFBNTZQYDTD-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.03
Rot. Bonds6

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

2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 79238144) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID79238144
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1Cn1cncc1CNCC(C)C
InChIInChI=1S/C15H25N5/c1-11(2)6-16-7-14-8-17-10-20(14)9-15-12(3)18-19(5)13(15)4/h8,10-11,16H,6-7,9H2,1-5H3
InChIKeyBFUBFBNTZQYDTD-UHFFFAOYSA-N
XLogP2.03
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 79238144) is 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is Cc1nn(C)c(C)c1Cn1cncc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is BFUBFBNTZQYDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-11(2)6-16-7-14-8-17-10-20(14)9-15-12(3)18-19(5)13(15)4/h8,10-11,16H,6-7,9H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79238144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).