[(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate

C11H15F2N3O3 — CID 97314627

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate
SMILESCc1nn(C(F)F)c(C)c1CC(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C11H15F2N3O3/c1-5-8(6(2)16(15-5)11(12)13)4-9(17)19-7(3)10(14)18/h7,11H,4H2,1-3H3,(H2,14,18)/t7-/m1/s1
InChIKeyCDMIMNDYGNBJBB-SSDOTTSWSA-N
MW275.25 g/mol
LogP0.85
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate (PubChem CID 97314627) has the molecular formula C11H15F2N3O3 and a molecular weight of 275.25 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate
PubChem CID97314627
Molecular FormulaC11H15F2N3O3
Molecular Weight275.25 g/mol
Exact Mass275.11
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate
SMILESCc1nn(C(F)F)c(C)c1CC(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C11H15F2N3O3/c1-5-8(6(2)16(15-5)11(12)13)4-9(17)19-7(3)10(14)18/h7,11H,4H2,1-3H3,(H2,14,18)/t7-/m1/s1
InChIKeyCDMIMNDYGNBJBB-SSDOTTSWSA-N
XLogP0.85
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 27935541
2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294632
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119608489
[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 62956158
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 97324057
ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61380918
ethyl 2-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 155103483
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 99604016
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 146084307
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 146086741
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629868
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119575428

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate (CID 97314627) is [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate is Cc1nn(C(F)F)c(C)c1CC(=O)O[C@H](C)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate?
The InChIKey is CDMIMNDYGNBJBB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15F2N3O3/c1-5-8(6(2)16(15-5)11(12)13)4-9(17)19-7(3)10(14)18/h7,11H,4H2,1-3H3,(H2,14,18)/t7-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate has a molecular weight of 275.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate is sourced from PubChem (CID 97314627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).