2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone

C13H20N2O2 — CID 104610214

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone
SMILESCOC1(C(=O)Cc2cc(C)nn2C)CCCC1
InChIInChI=1S/C13H20N2O2/c1-10-8-11(15(2)14-10)9-12(16)13(17-3)6-4-5-7-13/h8H,4-7,9H2,1-3H3
InChIKeyGUZFZDRTXVJTTN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone (PubChem CID 104610214) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone
PubChem CID104610214
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone
SMILESCOC1(C(=O)Cc2cc(C)nn2C)CCCC1
InChIInChI=1S/C13H20N2O2/c1-10-8-11(15(2)14-10)9-12(16)13(17-3)6-4-5-7-13/h8H,4-7,9H2,1-3H3
InChIKeyGUZFZDRTXVJTTN-UHFFFAOYSA-N
XLogP1.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750559
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750456
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxycyclohexyl)ethanone
CID 116748161
1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116748212
1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779670
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
CID 104610156

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone (CID 104610214) is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone is COC1(C(=O)Cc2cc(C)nn2C)CCCC1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone?
The InChIKey is GUZFZDRTXVJTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-11(15(2)14-10)9-12(16)13(17-3)6-4-5-7-13/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone is sourced from PubChem (CID 104610214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).