(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone

C17H22N2O2 — CID 105096952

IUPAC(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(CC)nn2CC)cc1
InChIInChI=1S/C17H22N2O2/c1-4-11-21-15-9-7-13(8-10-15)17(20)16-12-14(5-2)18-19(16)6-3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyNMKOLKSEYOGVFJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.49
Rot. Bonds7

About (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone

(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone (PubChem CID 105096952) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone
PubChem CID105096952
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(CC)nn2CC)cc1
InChIInChI=1S/C17H22N2O2/c1-4-11-21-15-9-7-13(8-10-15)17(20)16-12-14(5-2)18-19(16)6-3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyNMKOLKSEYOGVFJ-UHFFFAOYSA-N
XLogP3.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone
CID 82895564
(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085413
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
2-methyl-4-propoxybenzoyl chloride
CID 82631959
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966
(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone
CID 114971031
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974
(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 105123639
1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
CID 107891320

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone (CID 105096952) is (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cc(CC)nn2CC)cc1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone?
The InChIKey is NMKOLKSEYOGVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-11-21-15-9-7-13(8-10-15)17(20)16-12-14(5-2)18-19(16)6-3/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone?
(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone has a molecular weight of 286.38 g/mol, XLogP of 3.49, 7 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-propoxyphenyl)methanone is sourced from PubChem (CID 105096952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).