[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate

C19H15N3O4 — CID 8644797

IUPAC[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
SMILESO=C(O[C@H]1CCOC1=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C19H15N3O4/c23-18(26-16-8-10-25-19(16)24)15-12-22(14-6-2-1-3-7-14)21-17(15)13-5-4-9-20-11-13/h1-7,9,11-12,16H,8,10H2/t16-/m0/s1
InChIKeyIBISUSURGLVBIB-INIZCTEOSA-N
MW349.35 g/mol
LogP2.41
Rot. Bonds4

About [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate

[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 8644797) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID8644797
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
SMILESO=C(O[C@H]1CCOC1=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C19H15N3O4/c23-18(26-16-8-10-25-19(16)24)15-12-22(14-6-2-1-3-7-14)21-17(15)13-5-4-9-20-11-13/h1-7,9,11-12,16H,8,10H2/t16-/m0/s1
InChIKeyIBISUSURGLVBIB-INIZCTEOSA-N
XLogP2.41
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2579305
[(3S)-2-oxooxolan-3-yl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726961
[(3S)-2-oxooxolan-3-yl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684985
[(3S)-2-oxooxolan-3-yl] 1-benzyl-3-phenylpyrazole-4-carboxylate
CID 8536992
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 2440747
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate (CID 8644797) is [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate is O=C(O[C@H]1CCOC1=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is IBISUSURGLVBIB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18(26-16-8-10-25-19(16)24)15-12-22(14-6-2-1-3-7-14)21-17(15)13-5-4-9-20-11-13/h1-7,9,11-12,16H,8,10H2/t16-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 349.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 8644797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).