1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone

C7H11N3O — CID 20703771

IUPAC1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone
SMILESCNc1c(C(C)=O)cnn1C
InChIInChI=1S/C7H11N3O/c1-5(11)6-4-9-10(3)7(6)8-2/h4,8H,1-3H3
InChIKeyJDJWKDIICODSQX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.66
Rot. Bonds2

About 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone

1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone (PubChem CID 20703771) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone
PubChem CID20703771
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone
SMILESCNc1c(C(C)=O)cnn1C
InChIInChI=1S/C7H11N3O/c1-5(11)6-4-9-10(3)7(6)8-2/h4,8H,1-3H3
InChIKeyJDJWKDIICODSQX-UHFFFAOYSA-N
XLogP0.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone (CID 20703771) is 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone is CNc1c(C(C)=O)cnn1C.
What is the InChIKey of 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone?
The InChIKey is JDJWKDIICODSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(11)6-4-9-10(3)7(6)8-2/h4,8H,1-3H3.
What are the key properties of 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone?
1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(methylamino)pyrazol-4-yl]ethanone is sourced from PubChem (CID 20703771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).