N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine

C8H15N3 — CID 67339846

IUPACN-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCCNC(C)c1cc(C)[nH]n1
InChIInChI=1S/C8H15N3/c1-4-9-7(3)8-5-6(2)10-11-8/h5,7,9H,4H2,1-3H3,(H,10,11)
InChIKeyHMXIGDQOVFLOPS-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.39
Rot. Bonds3

About N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine

N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine (PubChem CID 67339846) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine
PubChem CID67339846
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCCNC(C)c1cc(C)[nH]n1
InChIInChI=1S/C8H15N3/c1-4-9-7(3)8-5-6(2)10-11-8/h5,7,9H,4H2,1-3H3,(H,10,11)
InChIKeyHMXIGDQOVFLOPS-UHFFFAOYSA-N
XLogP1.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine (CID 67339846) is N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine is CCNC(C)c1cc(C)[nH]n1.
What is the InChIKey of N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The InChIKey is HMXIGDQOVFLOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-9-7(3)8-5-6(2)10-11-8/h5,7,9H,4H2,1-3H3,(H,10,11).
What are the key properties of N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine?
N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-1H-pyrazol-3-yl)ethanamine is sourced from PubChem (CID 67339846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).