2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

C17H26N2O — CID 114977358

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC1(C)C(C(=O)Cc2ccn(C3CCCC3)n2)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)15(17(16,3)4)14(20)11-12-9-10-19(18-12)13-7-5-6-8-13/h9-10,13,15H,5-8,11H2,1-4H3
InChIKeyYKZKUIAPBWVLBZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.79
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 114977358) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID114977358
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC1(C)C(C(=O)Cc2ccn(C3CCCC3)n2)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)15(17(16,3)4)14(20)11-12-9-10-19(18-12)13-7-5-6-8-13/h9-10,13,15H,5-8,11H2,1-4H3
InChIKeyYKZKUIAPBWVLBZ-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568445
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114977377

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 114977358) is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is CC1(C)C(C(=O)Cc2ccn(C3CCCC3)n2)C1(C)C.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is YKZKUIAPBWVLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2)15(17(16,3)4)14(20)11-12-9-10-19(18-12)13-7-5-6-8-13/h9-10,13,15H,5-8,11H2,1-4H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone has a molecular weight of 274.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 114977358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).