1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one

C15H22N2O2 — CID 64783724

IUPAC1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
SMILESO=C(Cc1ccn(C2CCCC2)n1)CC1CCCO1
InChIInChI=1S/C15H22N2O2/c18-14(11-15-6-3-9-19-15)10-12-7-8-17(16-12)13-4-1-2-5-13/h7-8,13,15H,1-6,9-11H2
InChIKeyJPYLBNDLOQIFPT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.68
Rot. Bonds5

About 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one

1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one (PubChem CID 64783724) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
PubChem CID64783724
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
SMILESO=C(Cc1ccn(C2CCCC2)n1)CC1CCCO1
InChIInChI=1S/C15H22N2O2/c18-14(11-15-6-3-9-19-15)10-12-7-8-17(16-12)13-4-1-2-5-13/h7-8,13,15H,1-6,9-11H2
InChIKeyJPYLBNDLOQIFPT-UHFFFAOYSA-N
XLogP2.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-one
CID 114977442
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
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)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 64799891
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105104774

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one (CID 64783724) is 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one is O=C(Cc1ccn(C2CCCC2)n1)CC1CCCO1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one?
The InChIKey is JPYLBNDLOQIFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14(11-15-6-3-9-19-15)10-12-7-8-17(16-12)13-4-1-2-5-13/h7-8,13,15H,1-6,9-11H2.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.68, 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-(oxolan-2-yl)propan-2-one is sourced from PubChem (CID 64783724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).