3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid

C14H19F2N3O3 — CID 75428957

IUPAC3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H19F2N3O3/c1-8-11(9(2)19(17-8)14(15)16)7-12(20)18(10-3-4-10)6-5-13(21)22/h10,14H,3-7H2,1-2H3,(H,21,22)
InChIKeyFENATOZMLVVICJ-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.90
Rot. Bonds7

About 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid

3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid (PubChem CID 75428957) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
PubChem CID75428957
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Name3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H19F2N3O3/c1-8-11(9(2)19(17-8)14(15)16)7-12(20)18(10-3-4-10)6-5-13(21)22/h10,14H,3-7H2,1-2H3,(H,21,22)
InChIKeyFENATOZMLVVICJ-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4,5-Trimethyl-pyrazol-1-yl)-butyric acid
CID 3160220
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]acetic acid
CID 63935788
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
1-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxylic acid
CID 71874510
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742494
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742511
3-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 143443375
1-(4-Acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 48650847
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 48653761
N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 48673875
3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide
CID 48679862
N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
CID 48680303

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid (CID 75428957) is 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid is Cc1nn(C(F)F)c(C)c1CC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid?
The InChIKey is FENATOZMLVVICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-8-11(9(2)19(17-8)14(15)16)7-12(20)18(10-3-4-10)6-5-13(21)22/h10,14H,3-7H2,1-2H3,(H,21,22).
What are the key properties of 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid?
3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid has a molecular weight of 315.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 75428957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).