[(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C24H23N3O4 — CID 90666572

IUPAC[(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2N=C(c3ccccn3)C[C@@H]2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O4/c1-29-21-13-17(14-22(30-2)23(21)31-3)24(28)27-20(16-9-5-4-6-10-16)15-19(26-27)18-11-7-8-12-25-18/h4-14,20H,15H2,1-3H3/t20-/m1/s1
InChIKeyKQFDXPQXEWIWAZ-HXUWFJFHSA-N
MW417.47 g/mol
LogP4.10
Rot. Bonds6

About [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 90666572) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID90666572
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name[(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2N=C(c3ccccn3)C[C@@H]2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O4/c1-29-21-13-17(14-22(30-2)23(21)31-3)24(28)27-20(16-9-5-4-6-10-16)15-19(26-27)18-11-7-8-12-25-18/h4-14,20H,15H2,1-3H3/t20-/m1/s1
InChIKeyKQFDXPQXEWIWAZ-HXUWFJFHSA-N
XLogP4.10
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

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1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 1-(3-phenyl-propyl)-4-pyridin-2-yl-butyl ester
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1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(2-pyridin-3-yl-ethyl)-butyl ester
CID 20707827
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CID 6321940
3,4,5-trimethoxy-N-3-pyridylbenzamide
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2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 90666572) is [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2N=C(c3ccccn3)C[C@@H]2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KQFDXPQXEWIWAZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-29-21-13-17(14-22(30-2)23(21)31-3)24(28)27-20(16-9-5-4-6-10-16)15-19(26-27)18-11-7-8-12-25-18/h4-14,20H,15H2,1-3H3/t20-/m1/s1.
What are the key properties of [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 417.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-phenyl-5-pyridin-2-yl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 90666572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).