N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine

C16H19N5 — CID 106718601

IUPACN-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccn(-c3ccccc3)n2)cn1
InChIInChI=1S/C16H19N5/c1-2-17-10-15-12-20(13-18-15)11-14-8-9-21(19-14)16-6-4-3-5-7-16/h3-9,12-13,17H,2,10-11H2,1H3
InChIKeyLPHXJYKBMKHGCW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.23
Rot. Bonds6

About N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine

N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106718601) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106718601
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccn(-c3ccccc3)n2)cn1
InChIInChI=1S/C16H19N5/c1-2-17-10-15-12-20(13-18-15)11-14-8-9-21(19-14)16-6-4-3-5-7-16/h3-9,12-13,17H,2,10-11H2,1H3
InChIKeyLPHXJYKBMKHGCW-UHFFFAOYSA-N
XLogP2.23
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 63811432
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858
[1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol
CID 66398924
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106718699
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719105
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]imidazole
CID 62301544
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718905
methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 106718863

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106718601) is N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ccn(-c3ccccc3)n2)cn1.
What is the InChIKey of N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is LPHXJYKBMKHGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-17-10-15-12-20(13-18-15)11-14-8-9-21(19-14)16-6-4-3-5-7-16/h3-9,12-13,17H,2,10-11H2,1H3.
What are the key properties of N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).