[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate

C24H19N3O3 — CID 2440747

IUPAC[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)c1ccccc1
InChIInChI=1S/C24H19N3O3/c1-17(23(28)18-9-4-2-5-10-18)30-24(29)21-16-27(20-12-6-3-7-13-20)26-22(21)19-11-8-14-25-15-19/h2-17H,1H3/t17-/m1/s1
InChIKeyORQRBSPYWCKXSB-QGZVFWFLSA-N
MW397.43 g/mol
LogP4.36
Rot. Bonds6

About [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate

[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 2440747) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID2440747
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)c1ccccc1
InChIInChI=1S/C24H19N3O3/c1-17(23(28)18-9-4-2-5-10-18)30-24(29)21-16-27(20-12-6-3-7-13-20)26-22(21)19-11-8-14-25-15-19/h2-17H,1H3/t17-/m1/s1
InChIKeyORQRBSPYWCKXSB-QGZVFWFLSA-N
XLogP4.36
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 5021411
[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 4238806
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 16531009
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
[(1S)-1-(4-fluorophenyl)ethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 7842037
[(2S)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7796860
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703
1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 97088156
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580677

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate (CID 2440747) is [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate is C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is ORQRBSPYWCKXSB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-17(23(28)18-9-4-2-5-10-18)30-24(29)21-16-27(20-12-6-3-7-13-20)26-22(21)19-11-8-14-25-15-19/h2-17H,1H3/t17-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 2440747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).