2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone

C12H16N2O — CID 130987790

IUPAC2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)cc1C(=O)CC1=CCCC1
InChIInChI=1S/C12H16N2O/c1-9-11(8-14(2)13-9)12(15)7-10-5-3-4-6-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyURUZRQLOBFKMFH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.41
Rot. Bonds3

About 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone

2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone (PubChem CID 130987790) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
PubChem CID130987790
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)cc1C(=O)CC1=CCCC1
InChIInChI=1S/C12H16N2O/c1-9-11(8-14(2)13-9)12(15)7-10-5-3-4-6-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyURUZRQLOBFKMFH-UHFFFAOYSA-N
XLogP2.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 843977
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethanone
CID 7019427
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione
CID 11345326
1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione
CID 19588111
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 14435009
1-[1-(4-Aminocyclohexyl)-5-methylpyrazol-4-yl]butan-1-one
CID 90105500
1-[1-(1-Amino-piperidin-4-yl)-5-methyl-1H-pyrazol-4-yl]butan-1-one
CID 90105536
1-(1,5-dimethyl-1H-pyrazol-4-yl)-4,4-difluorobutane-1,3-dione
CID 17024805
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 19371779
3-Cyclopropyl-1-methyl-1H-pyrazole-4-carbaldehyde
CID 19614693

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone (CID 130987790) is 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone is Cc1nn(C)cc1C(=O)CC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone?
The InChIKey is URUZRQLOBFKMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-11(8-14(2)13-9)12(15)7-10-5-3-4-6-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone?
2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 130987790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).