N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C9H17N3 — CID 23005746

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1C
InChIInChI=1S/C9H17N3/c1-5-10-6-9-7(2)11-12(4)8(9)3/h10H,5-6H2,1-4H3
InChIKeyUMXGKHVBQSAEKG-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.15
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 23005746) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID23005746
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1C
InChIInChI=1S/C9H17N3/c1-5-10-6-9-7(2)11-12(4)8(9)3/h10H,5-6H2,1-4H3
InChIKeyUMXGKHVBQSAEKG-UHFFFAOYSA-N
XLogP1.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 23005746) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is CCNCc1c(C)nn(C)c1C.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is UMXGKHVBQSAEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-10-6-9-7(2)11-12(4)8(9)3/h10H,5-6H2,1-4H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 23005746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).