2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C10H16N2O — CID 10583531

IUPAC2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1C(=O)C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)10(13)9-7(3)11-12(5)8(9)4/h6H,1-5H3
InChIKeyKUVPGBBAWQGZGU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 10583531) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID10583531
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1C(=O)C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)10(13)9-7(3)11-12(5)8(9)4/h6H,1-5H3
InChIKeyKUVPGBBAWQGZGU-UHFFFAOYSA-N
XLogP1.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 10583531) is 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is KUVPGBBAWQGZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)10(13)9-7(3)11-12(5)8(9)4/h6H,1-5H3.
What are the key properties of 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 10583531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).