3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine

C23H22FN3O3 — CID 3367461

IUPAC3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine
SMILESCOc1cc(C2CC(c3cccnc3)=NN2c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22FN3O3/c1-28-21-11-16(12-22(29-2)23(21)30-3)20-13-19(15-5-4-10-25-14-15)26-27(20)18-8-6-17(24)7-9-18/h4-12,14,20H,13H2,1-3H3
InChIKeyVTERAFNFGAIBOC-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.60
Rot. Bonds6

About 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine

3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine (PubChem CID 3367461) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine
PubChem CID3367461
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine
SMILESCOc1cc(C2CC(c3cccnc3)=NN2c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22FN3O3/c1-28-21-11-16(12-22(29-2)23(21)30-3)20-13-19(15-5-4-10-25-14-15)26-27(20)18-8-6-17(24)7-9-18/h4-12,14,20H,13H2,1-3H3
InChIKeyVTERAFNFGAIBOC-UHFFFAOYSA-N
XLogP4.60
TPSA56.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine?
The IUPAC name of 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine (CID 3367461) is 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine is COc1cc(C2CC(c3cccnc3)=NN2c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine?
The InChIKey is VTERAFNFGAIBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-28-21-11-16(12-22(29-2)23(21)30-3)20-13-19(15-5-4-10-25-14-15)26-27(20)18-8-6-17(24)7-9-18/h4-12,14,20H,13H2,1-3H3.
What are the key properties of 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine?
3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine has a molecular weight of 407.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]pyridine is sourced from PubChem (CID 3367461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).