1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one

C15H18N2O2 — CID 114079106

IUPAC1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
SMILESCCC(=O)c1cccc(Oc2cnn(C(C)C)c2)c1
InChIInChI=1S/C15H18N2O2/c1-4-15(18)12-6-5-7-13(8-12)19-14-9-16-17(10-14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyLSFWNFLQMCVPCU-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.85
Rot. Bonds5

About 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one

1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one (PubChem CID 114079106) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
PubChem CID114079106
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
SMILESCCC(=O)c1cccc(Oc2cnn(C(C)C)c2)c1
InChIInChI=1S/C15H18N2O2/c1-4-15(18)12-6-5-7-13(8-12)19-14-9-16-17(10-14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyLSFWNFLQMCVPCU-UHFFFAOYSA-N
XLogP3.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 134702922
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
1-[3-(2-methylphenoxy)phenyl]propan-1-one
CID 114079071
N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70770365
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295
copper bis(1-(3-phenoxyphenyl)pentane-1,3-dione)
CID 71565696
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 114067267
6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
CID 116801270

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one?
The IUPAC name of 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one (CID 114079106) is 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one.
What is the SMILES notation for 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one?
The canonical SMILES for 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one is CCC(=O)c1cccc(Oc2cnn(C(C)C)c2)c1.
What is the InChIKey of 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one?
The InChIKey is LSFWNFLQMCVPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-15(18)12-6-5-7-13(8-12)19-14-9-16-17(10-14)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one?
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one is sourced from PubChem (CID 114079106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).