2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone

C14H19ClN2O — CID 103448183

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
SMILESCCc1nn(CC)c(CC(=O)C2=CCCC2)c1Cl
InChIInChI=1S/C14H19ClN2O/c1-3-11-14(15)12(17(4-2)16-11)9-13(18)10-7-5-6-8-10/h7H,3-6,8-9H2,1-2H3
InChIKeyLVRSCDMLRYEZGH-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone (PubChem CID 103448183) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
PubChem CID103448183
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
SMILESCCc1nn(CC)c(CC(=O)C2=CCCC2)c1Cl
InChIInChI=1S/C14H19ClN2O/c1-3-11-14(15)12(17(4-2)16-11)9-13(18)10-7-5-6-8-10/h7H,3-6,8-9H2,1-2H3
InChIKeyLVRSCDMLRYEZGH-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
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2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
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2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105111157
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
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2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115778645
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-5-yl)ethanone
CID 114031567
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 115778565
1-(3-amino-5-bromophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 116597150
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanone
CID 106754690
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-2-one
CID 103455647
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458608
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethylhex-3-en-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone (CID 103448183) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone is CCc1nn(CC)c(CC(=O)C2=CCCC2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone?
The InChIKey is LVRSCDMLRYEZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-11-14(15)12(17(4-2)16-11)9-13(18)10-7-5-6-8-10/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone has a molecular weight of 266.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 103448183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).