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

C11H14N4O — CID 102802676

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCc1nn(C)cc1C(=O)Cc1cnn(C)c1
InChIInChI=1S/C11H14N4O/c1-8-10(7-15(3)13-8)11(16)4-9-5-12-14(2)6-9/h5-7H,4H2,1-3H3
InChIKeyLKIPJHBSBGNKPQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.89
Rot. Bonds3

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

1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 102802676) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID102802676
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCc1nn(C)cc1C(=O)Cc1cnn(C)c1
InChIInChI=1S/C11H14N4O/c1-8-10(7-15(3)13-8)11(16)4-9-5-12-14(2)6-9/h5-7H,4H2,1-3H3
InChIKeyLKIPJHBSBGNKPQ-UHFFFAOYSA-N
XLogP0.89
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 105084447
2-(4-tert-butylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802701
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802703
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063008
2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 130987790
1-(2-amino-5-bromophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 82703777
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124105
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 103124107
1-(3-bromo-2-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965321
4-(1,3-dimethylpyrazol-4-yl)-4-oxobutanoic acid
CID 83091303
1-(1,3-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 102802687
1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 102802705

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 102802676) is 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone is Cc1nn(C)cc1C(=O)Cc1cnn(C)c1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is LKIPJHBSBGNKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-10(7-15(3)13-8)11(16)4-9-5-12-14(2)6-9/h5-7H,4H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 218.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 102802676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).