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

C13H20N2O — CID 107186715

IUPAC1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2CCCC2(C)C)cn1
InChIInChI=1S/C13H20N2O/c1-13(2)6-4-5-11(13)12(16)7-10-8-14-15(3)9-10/h8-9,11H,4-7H2,1-3H3
InChIKeyDYCRQSCPWLVAQS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.36
Rot. Bonds3

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

1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 107186715) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID107186715
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2CCCC2(C)C)cn1
InChIInChI=1S/C13H20N2O/c1-13(2)6-4-5-11(13)12(16)7-10-8-14-15(3)9-10/h8-9,11H,4-7H2,1-3H3
InChIKeyDYCRQSCPWLVAQS-UHFFFAOYSA-N
XLogP2.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107003822
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116607321
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 107186691
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187109
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 103558759
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119572498
(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone (CID 107186715) is 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(CC(=O)C2CCCC2(C)C)cn1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is DYCRQSCPWLVAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2)6-4-5-11(13)12(16)7-10-8-14-15(3)9-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 220.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 107186715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).