[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate

C20H19FN4O3 — CID 99799842

IUPAC[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cnn(-c2cccnc2)c1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C20H19FN4O3/c1-14(19(26)24(2)12-15-5-3-6-17(21)9-15)28-20(27)16-10-23-25(13-16)18-7-4-8-22-11-18/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1
InChIKeyNRTGTBXFSFYQOA-CQSZACIVSA-N
MW382.40 g/mol
LogP2.61
Rot. Bonds6

About [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate

[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 99799842) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID99799842
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cnn(-c2cccnc2)c1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C20H19FN4O3/c1-14(19(26)24(2)12-15-5-3-6-17(21)9-15)28-20(27)16-10-23-25(13-16)18-7-4-8-22-11-18/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1
InChIKeyNRTGTBXFSFYQOA-CQSZACIVSA-N
XLogP2.61
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 3-amino-4-ethylbenzoate
CID 95788331
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 51868609
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 46813893
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 43028441
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 3,6-dichloropyridine-2-carboxylate
CID 55374009
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55998949
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 55373351
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 46814706
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 46814437
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 46814114
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate (CID 99799842) is [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate is C[C@@H](OC(=O)c1cnn(-c2cccnc2)c1)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is NRTGTBXFSFYQOA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-14(19(26)24(2)12-15-5-3-6-17(21)9-15)28-20(27)16-10-23-25(13-16)18-7-4-8-22-11-18/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate?
[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 382.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 99799842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).