1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one

C16H24N2O2 — CID 114977442

IUPAC1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
SMILESO=C(CCC1CCCO1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H24N2O2/c19-15(7-8-16-6-3-11-20-16)12-13-9-10-18(17-13)14-4-1-2-5-14/h9-10,14,16H,1-8,11-12H2
InChIKeyJTWWRWUUSLHDBP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds6

About 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one

1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one (PubChem CID 114977442) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
PubChem CID114977442
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
SMILESO=C(CCC1CCCO1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H24N2O2/c19-15(7-8-16-6-3-11-20-16)12-13-9-10-18(17-13)14-4-1-2-5-14/h9-10,14,16H,1-8,11-12H2
InChIKeyJTWWRWUUSLHDBP-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
CID 64783724
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
CID 105107258
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
1-(4-iodophenyl)-4-(oxolan-2-yl)butan-2-one
CID 114974166

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one (CID 114977442) is 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one is O=C(CCC1CCCO1)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one?
The InChIKey is JTWWRWUUSLHDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(7-8-16-6-3-11-20-16)12-13-9-10-18(17-13)14-4-1-2-5-14/h9-10,14,16H,1-8,11-12H2.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.07, 6 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)-4-(oxolan-2-yl)butan-2-one is sourced from PubChem (CID 114977442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).