1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone

C8H15N3O — CID 15185192

IUPAC1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone
SMILESCNC1(C)CC(C)=NN1C(C)=O
InChIInChI=1S/C8H15N3O/c1-6-5-8(3,9-4)11(10-6)7(2)12/h9H,5H2,1-4H3
InChIKeyKYYFPKQYGXPAGG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.55
Rot. Bonds1

About 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone

1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone (PubChem CID 15185192) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone
PubChem CID15185192
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone
SMILESCNC1(C)CC(C)=NN1C(C)=O
InChIInChI=1S/C8H15N3O/c1-6-5-8(3,9-4)11(10-6)7(2)12/h9H,5H2,1-4H3
InChIKeyKYYFPKQYGXPAGG-UHFFFAOYSA-N
XLogP0.55
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone (CID 15185192) is 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone is CNC1(C)CC(C)=NN1C(C)=O.
What is the InChIKey of 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone?
The InChIKey is KYYFPKQYGXPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-5-8(3,9-4)11(10-6)7(2)12/h9H,5H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone?
1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone has a molecular weight of 169.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-5-(methylamino)-4H-pyrazol-1-yl]ethanone is sourced from PubChem (CID 15185192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).