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

C17H20N2O2 — CID 105106944

IUPAC4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O2/c20-17(10-4-8-15-9-5-13-21-15)16-11-12-19(18-16)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2
InChIKeyHAFOQGXYMZGWOP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.40
Rot. Bonds6

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

4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one (PubChem CID 105106944) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
PubChem CID105106944
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O2/c20-17(10-4-8-15-9-5-13-21-15)16-11-12-19(18-16)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2
InChIKeyHAFOQGXYMZGWOP-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-yl)-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105106983
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine
CID 105156665
1-(1-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 107976971
1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
CID 65162534
4-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 103124735
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
CID 65167261
oxolan-2-ylmethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61309256
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
N-[[(2S)-oxolan-2-yl]methyl]-2-[(1-phenylpyrazol-3-yl)methylsulfanyl]acetamide
CID 97083267
3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
CID 115806425
1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106691075

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one?
The IUPAC name of 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one (CID 105106944) is 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one is O=C(CCCC1CCCO1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one?
The InChIKey is HAFOQGXYMZGWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(10-4-8-15-9-5-13-21-15)16-11-12-19(18-16)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2.
What are the key properties of 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one?
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one has a molecular weight of 284.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 105106944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).