N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine

C8H15N3 — CID 122165961

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(C)cnn1C
InChIInChI=1S/C8H15N3/c1-4-9-6-8-7(2)5-10-11(8)3/h5,9H,4,6H2,1-3H3
InChIKeyIXFUFZBFBYAJAZ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.84
Rot. Bonds3

About N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine

N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine (PubChem CID 122165961) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine
PubChem CID122165961
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(C)cnn1C
InChIInChI=1S/C8H15N3/c1-4-9-6-8-7(2)5-10-11(8)3/h5,9H,4,6H2,1-3H3
InChIKeyIXFUFZBFBYAJAZ-UHFFFAOYSA-N
XLogP0.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine (CID 122165961) is N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine is CCNCc1c(C)cnn1C.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is IXFUFZBFBYAJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-9-6-8-7(2)5-10-11(8)3/h5,9H,4,6H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine?
N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 122165961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).