1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone

C10H13N5O — CID 107063008

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCc1nn(C)cc1C(=O)Cc1cn(C)nn1
InChIInChI=1S/C10H13N5O/c1-7-9(6-14(2)12-7)10(16)4-8-5-15(3)13-11-8/h5-6H,4H2,1-3H3
InChIKeyJPQXGGQIXYDGDZ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.28
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone

1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107063008) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107063008
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCc1nn(C)cc1C(=O)Cc1cn(C)nn1
InChIInChI=1S/C10H13N5O/c1-7-9(6-14(2)12-7)10(16)4-8-5-15(3)13-11-8/h5-6H,4H2,1-3H3
InChIKeyJPQXGGQIXYDGDZ-UHFFFAOYSA-N
XLogP0.28
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-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

Related Compounds

1-(3-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107101924
1-(2,5-dimethylfuran-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062798
1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062722
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-(1-methyltriazol-4-yl)-1-phenylethanone
CID 107046867
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 102802676
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047379
1-(2-amino-4-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047091
1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063028
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063130
4-(1,3-dimethylpyrazol-4-yl)-4-oxobutanoic acid
CID 83091303
2-(1-methyltriazol-4-yl)-1-(thiadiazol-4-yl)ethanone
CID 107062878

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone (CID 107063008) is 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone is Cc1nn(C)cc1C(=O)Cc1cn(C)nn1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is JPQXGGQIXYDGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-9(6-14(2)12-7)10(16)4-8-5-15(3)13-11-8/h5-6H,4H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone?
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 219.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107063008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).