3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one

C15H19N3O2 — CID 114668323

IUPAC3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
SMILESCCn1ncc(OC)c1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-18-15(14(20-2)10-17-18)13(19)9-12(16)11-7-5-4-6-8-11/h4-8,10,12H,3,9,16H2,1-2H3
InChIKeyVCVPMAWEERSGGN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.18
Rot. Bonds6

About 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one

3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one (PubChem CID 114668323) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
PubChem CID114668323
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
SMILESCCn1ncc(OC)c1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-18-15(14(20-2)10-17-18)13(19)9-12(16)11-7-5-4-6-8-11/h4-8,10,12H,3,9,16H2,1-2H3
InChIKeyVCVPMAWEERSGGN-UHFFFAOYSA-N
XLogP2.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
CID 114671018
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638771
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one
CID 116553157
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639766
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114663919
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114640294

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one (CID 114668323) is 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one is CCn1ncc(OC)c1C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one?
The InChIKey is VCVPMAWEERSGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-15(14(20-2)10-17-18)13(19)9-12(16)11-7-5-4-6-8-11/h4-8,10,12H,3,9,16H2,1-2H3.
What are the key properties of 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one?
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one has a molecular weight of 273.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 114668323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).