(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone

C13H20N2O — CID 107186691

IUPAC(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)C2CCCC2(C)C)cn1
InChIInChI=1S/C13H20N2O/c1-4-15-9-10(8-14-15)12(16)11-6-5-7-13(11,2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyQQTAZRRRZGHSEC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.91
Rot. Bonds3

About (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone

(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 107186691) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID107186691
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)C2CCCC2(C)C)cn1
InChIInChI=1S/C13H20N2O/c1-4-15-9-10(8-14-15)12(16)11-6-5-7-13(11,2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyQQTAZRRRZGHSEC-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
(2-aminocyclopentyl)-(1-ethylpyrazol-4-yl)methanone
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(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methanone
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(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone
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(1,1-dioxothiolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
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(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749640
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone
CID 116575868
[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 116589035
1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107186715
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
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(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 116587363

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone (CID 107186691) is (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)C2CCCC2(C)C)cn1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is QQTAZRRRZGHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-15-9-10(8-14-15)12(16)11-6-5-7-13(11,2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone?
(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 220.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 107186691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).