1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone

C11H16N2O — CID 107003822

IUPAC1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2CC2(C)C)cn1
InChIInChI=1S/C11H16N2O/c1-11(2)5-9(11)10(14)4-8-6-12-13(3)7-8/h6-7,9H,4-5H2,1-3H3
InChIKeyBKRLYWSGSWTKRR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.58
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone

1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 107003822) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID107003822
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2CC2(C)C)cn1
InChIInChI=1S/C11H16N2O/c1-11(2)5-9(11)10(14)4-8-6-12-13(3)7-8/h6-7,9H,4-5H2,1-3H3
InChIKeyBKRLYWSGSWTKRR-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107186715
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 103344866
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116607321
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582
1-(furan-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 62717295
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone (CID 107003822) is 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(CC(=O)C2CC2(C)C)cn1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is BKRLYWSGSWTKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2)5-9(11)10(14)4-8-6-12-13(3)7-8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 107003822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).