4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one

C17H23N3O — CID 116599023

IUPAC4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one
SMILESCCn1nc(C)cc1CC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-4-20-15(10-12(2)19-20)11-16(21)13(3)17(18)14-8-6-5-7-9-14/h5-10,13,17H,4,11,18H2,1-3H3
InChIKeyJPFIEYUIPZNWFZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds6

About 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one

4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one (PubChem CID 116599023) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one
PubChem CID116599023
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one
SMILESCCn1nc(C)cc1CC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-4-20-15(10-12(2)19-20)11-16(21)13(3)17(18)14-8-6-5-7-9-14/h5-10,13,17H,4,11,18H2,1-3H3
InChIKeyJPFIEYUIPZNWFZ-UHFFFAOYSA-N
XLogP2.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-4-phenylbutan-2-one
CID 116598997
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one
CID 116599033
5-(3-chloro-2-methyl-3-phenylpropyl)-1-ethyl-3-methylpyrazole
CID 113460182
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79441236
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
CID 83149292
4-amino-1-(5-bromo-2-pyridinyl)-3-methyl-4-phenylbutan-2-one
CID 116599054

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one?
The IUPAC name of 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one (CID 116599023) is 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one.
What is the SMILES notation for 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one?
The canonical SMILES for 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one is CCn1nc(C)cc1CC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one?
The InChIKey is JPFIEYUIPZNWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20-15(10-12(2)19-20)11-16(21)13(3)17(18)14-8-6-5-7-9-14/h5-10,13,17H,4,11,18H2,1-3H3.
What are the key properties of 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one?
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one is sourced from PubChem (CID 116599023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).