4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one

C7H13N3O — CID 20679550

IUPAC4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one
SMILESCCC1=NNC(=O)C1(C)CN
InChIInChI=1S/C7H13N3O/c1-3-5-7(2,4-8)6(11)10-9-5/h3-4,8H2,1-2H3,(H,10,11)
InChIKeyAXQOCYWICWGPJY-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.15
Rot. Bonds2

About 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one

4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one (PubChem CID 20679550) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one
PubChem CID20679550
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one
SMILESCCC1=NNC(=O)C1(C)CN
InChIInChI=1S/C7H13N3O/c1-3-5-7(2,4-8)6(11)10-9-5/h3-4,8H2,1-2H3,(H,10,11)
InChIKeyAXQOCYWICWGPJY-UHFFFAOYSA-N
XLogP-0.15
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one?
The IUPAC name of 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one (CID 20679550) is 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one?
The canonical SMILES for 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one is CCC1=NNC(=O)C1(C)CN.
What is the InChIKey of 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one?
The InChIKey is AXQOCYWICWGPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-5-7(2,4-8)6(11)10-9-5/h3-4,8H2,1-2H3,(H,10,11).
What are the key properties of 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one?
4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one has a molecular weight of 155.20 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 20679550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).