(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone

C17H22N2O2 — CID 105097408

IUPAC(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone
SMILESCCc1cc(C(=O)c2ccc(OC(C)C)cc2)n(CC)n1
InChIInChI=1S/C17H22N2O2/c1-5-14-11-16(19(6-2)18-14)17(20)13-7-9-15(10-8-13)21-12(3)4/h7-12H,5-6H2,1-4H3
InChIKeyDRKWGYSPCWGZHX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.48
Rot. Bonds6

About (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone

(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 105097408) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID105097408
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone
SMILESCCc1cc(C(=O)c2ccc(OC(C)C)cc2)n(CC)n1
InChIInChI=1S/C17H22N2O2/c1-5-14-11-16(19(6-2)18-14)17(20)13-7-9-15(10-8-13)21-12(3)4/h7-12H,5-6H2,1-4H3
InChIKeyDRKWGYSPCWGZHX-UHFFFAOYSA-N
XLogP3.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085413
(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 82896310
(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 102811706
(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197956
1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
CID 107891320
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 107944446
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 105123639

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone (CID 105097408) is (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone is CCc1cc(C(=O)c2ccc(OC(C)C)cc2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is DRKWGYSPCWGZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-14-11-16(19(6-2)18-14)17(20)13-7-9-15(10-8-13)21-12(3)4/h7-12H,5-6H2,1-4H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone?
(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 286.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 105097408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).