1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one

C133H187FN22O23 — CID 157310034

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one
SMILESCC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cn[nH]c1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cnco1.CC(C)C(=O)c1cnn(C)c1.CC(C)C(=O)c1cnn(CCO)c1.CC(C)C(=O)c1cnoc1.CC1=NCC(C(=O)C(C)C)=C1.Cc1[nH]ncc1C(=O)C(C)C.Cc1cc(C(=O)C(C)C)no1.Cc1cc(C(=O)C(C)C)on1.Cc1ccc(CC(=O)C(C)C)cn1.Cc1cnoc1C(=O)C(C)C.Cc1nn(C)cc1C(=O)C(C)C.Cc1oncc1C(=O)C(C)C
InChIInChI=1S/C11H13FO.C11H15NO.C9H14N2O2.C9H14N2O.C9H13NO.3C8H12N2O.4C8H11NO2.2C7H10N2O.2C7H9NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)6-10-5-4-9(3)12-7-10;1-7(2)9(13)8-5-10-11(6-8)3-4-12;1-6(2)9(12)8-5-11(4)10-7(8)3;1-6(2)9(11)8-4-7(3)10-5-8;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-10(3)5-7;1-5(2)8(11)7-4-9-10-6(7)3;1-5(2)8(10)7-4-9-11-6(7)3;1-5(2)7(10)8-6(3)4-9-11-8;1-5(2)8(10)7-4-6(3)11-9-7;1-5(2)8(10)7-4-6(3)9-11-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)7(10)6-3-8-9-4-6;1-5(2)7(9)6-3-8-4-10-6;1-5(2)7(9)6-3-8-10-4-6/h3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;5-7,12H,3-4H2,1-2H3;5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,9,10);4*4-5H,1-3H3;2*3-5H,1-2H3,(H,8,9);2*3-5H,1-2H3
InChIKeyBCXWCGGHTKKTHK-UHFFFAOYSA-N
MW2481.09 g/mol
LogP25.53
Rot. Bonds36

About 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one

1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 157310034) has the molecular formula C133H187FN22O23 and a molecular weight of 2481.09 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one
PubChem CID157310034
Molecular FormulaC133H187FN22O23
Molecular Weight2481.09 g/mol
Exact Mass2479.41
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one
SMILESCC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cn[nH]c1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cnco1.CC(C)C(=O)c1cnn(C)c1.CC(C)C(=O)c1cnn(CCO)c1.CC(C)C(=O)c1cnoc1.CC1=NCC(C(=O)C(C)C)=C1.Cc1[nH]ncc1C(=O)C(C)C.Cc1cc(C(=O)C(C)C)no1.Cc1cc(C(=O)C(C)C)on1.Cc1ccc(CC(=O)C(C)C)cn1.Cc1cnoc1C(=O)C(C)C.Cc1nn(C)cc1C(=O)C(C)C.Cc1oncc1C(=O)C(C)C
InChIInChI=1S/C11H13FO.C11H15NO.C9H14N2O2.C9H14N2O.C9H13NO.3C8H12N2O.4C8H11NO2.2C7H10N2O.2C7H9NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)6-10-5-4-9(3)12-7-10;1-7(2)9(13)8-5-10-11(6-8)3-4-12;1-6(2)9(12)8-5-11(4)10-7(8)3;1-6(2)9(11)8-4-7(3)10-5-8;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-10(3)5-7;1-5(2)8(11)7-4-9-10-6(7)3;1-5(2)8(10)7-4-9-11-6(7)3;1-5(2)7(10)8-6(3)4-9-11-8;1-5(2)8(10)7-4-6(3)11-9-7;1-5(2)8(10)7-4-6(3)9-11-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)7(10)6-3-8-9-4-6;1-5(2)7(9)6-3-8-4-10-6;1-5(2)7(9)6-3-8-10-4-6/h3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;5-7,12H,3-4H2,1-2H3;5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,9,10);4*4-5H,1-3H3;2*3-5H,1-2H3,(H,8,9);2*3-5H,1-2H3
InChIKeyBCXWCGGHTKKTHK-UHFFFAOYSA-N
XLogP25.53
TPSA632.10 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.09
LogP ≤ 525.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Analyze 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one (CID 157310034) is 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one is CC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cn[nH]c1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cnco1.CC(C)C(=O)c1cnn(C)c1.CC(C)C(=O)c1cnn(CCO)c1.CC(C)C(=O)c1cnoc1.CC1=NCC(C(=O)C(C)C)=C1.Cc1[nH]ncc1C(=O)C(C)C.Cc1cc(C(=O)C(C)C)no1.Cc1cc(C(=O)C(C)C)on1.Cc1ccc(CC(=O)C(C)C)cn1.Cc1cnoc1C(=O)C(C)C.Cc1nn(C)cc1C(=O)C(C)C.Cc1oncc1C(=O)C(C)C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is BCXWCGGHTKKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO.C11H15NO.C9H14N2O2.C9H14N2O.C9H13NO.3C8H12N2O.4C8H11NO2.2C7H10N2O.2C7H9NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)6-10-5-4-9(3)12-7-10;1-7(2)9(13)8-5-10-11(6-8)3-4-12;1-6(2)9(12)8-5-11(4)10-7(8)3;1-6(2)9(11)8-4-7(3)10-5-8;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-10(3)5-7;1-5(2)8(11)7-4-9-10-6(7)3;1-5(2)8(10)7-4-9-11-6(7)3;1-5(2)7(10)8-6(3)4-9-11-8;1-5(2)8(10)7-4-6(3)11-9-7;1-5(2)8(10)7-4-6(3)9-11-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)7(10)6-3-8-9-4-6;1-5(2)7(9)6-3-8-4-10-6;1-5(2)7(9)6-3-8-10-4-6/h3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;5-7,12H,3-4H2,1-2H3;5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,9,10);4*4-5H,1-3H3;2*3-5H,1-2H3,(H,8,9);2*3-5H,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one?
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 2481.09 g/mol, XLogP of 25.53, 36 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-3-yl)propan-1-one;2-methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-4-yl)propan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-2-one;2-methyl-1-(5-methyl-2H-pyrrol-3-yl)propan-1-one;2-methyl-1-(1,2-oxazol-4-yl)propan-1-one;2-methyl-1-(1,3-oxazol-5-yl)propan-1-one;2-methyl-1-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 157310034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).