2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone

C16H19N3O — CID 105107346

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H19N3O/c1-12-15(7-4-9-17-12)16(20)11-13-8-10-19(18-13)14-5-2-3-6-14/h4,7-10,14H,2-3,5-6,11H2,1H3
InChIKeyPWATWCOIXJMXGI-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.13
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone

2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone (PubChem CID 105107346) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
PubChem CID105107346
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H19N3O/c1-12-15(7-4-9-17-12)16(20)11-13-8-10-19(18-13)14-5-2-3-6-14/h4,7-10,14H,2-3,5-6,11H2,1H3
InChIKeyPWATWCOIXJMXGI-UHFFFAOYSA-N
XLogP3.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
CID 64784881
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114977377
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977452
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601990
2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977374
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 107996435

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone (CID 105107346) is 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone is Cc1ncccc1C(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is PWATWCOIXJMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-15(7-4-9-17-12)16(20)11-13-8-10-19(18-13)14-5-2-3-6-14/h4,7-10,14H,2-3,5-6,11H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone?
2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 269.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105107346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).