(1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone

C9H10N4O — CID 1051581

IUPAC(1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone
SMILESCc1nn(C)cc1C(=O)n1cccn1
InChIInChI=1S/C9H10N4O/c1-7-8(6-12(2)11-7)9(14)13-5-3-4-10-13/h3-6H,1-2H3
InChIKeyLTYVSBKJSVXKOZ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.61
Rot. Bonds1

About (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone

(1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone (PubChem CID 1051581) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone
PubChem CID1051581
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name(1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone
SMILESCc1nn(C)cc1C(=O)n1cccn1
InChIInChI=1S/C9H10N4O/c1-7-8(6-12(2)11-7)9(14)13-5-3-4-10-13/h3-6H,1-2H3
InChIKeyLTYVSBKJSVXKOZ-UHFFFAOYSA-N
XLogP0.61
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone (CID 1051581) is (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone is Cc1nn(C)cc1C(=O)n1cccn1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone?
The InChIKey is LTYVSBKJSVXKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-8(6-12(2)11-7)9(14)13-5-3-4-10-13/h3-6H,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone?
(1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone has a molecular weight of 190.21 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 1051581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).