1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one

C14H22N2O2 — CID 79197509

IUPAC1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
SMILESCOC(C)(C)C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-14(2,18-3)13(17)10-11-8-9-16(15-11)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3
InChIKeyOSEDFIYKZHCDIM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.53
Rot. Bonds5

About 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one

1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one (PubChem CID 79197509) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
PubChem CID79197509
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
SMILESCOC(C)(C)C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-14(2,18-3)13(17)10-11-8-9-16(15-11)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3
InChIKeyOSEDFIYKZHCDIM-UHFFFAOYSA-N
XLogP2.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one
CID 79052000
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
CID 103453825
6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one (CID 79197509) is 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one is COC(C)(C)C(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one?
The InChIKey is OSEDFIYKZHCDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,18-3)13(17)10-11-8-9-16(15-11)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one is sourced from PubChem (CID 79197509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).