1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone

C23H26FN3O2 — CID 46029970

IUPAC1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccccc1C1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCCCC1
InChIInChI=1S/C23H26FN3O2/c1-29-22-8-4-3-7-19(22)21-15-20(17-9-11-18(24)12-10-17)25-27(21)23(28)16-26-13-5-2-6-14-26/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeyRLANTRYHIWDGOU-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.00
Rot. Bonds5

About 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone

1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone (PubChem CID 46029970) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
PubChem CID46029970
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccccc1C1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCCCC1
InChIInChI=1S/C23H26FN3O2/c1-29-22-8-4-3-7-19(22)21-15-20(17-9-11-18(24)12-10-17)25-27(21)23(28)16-26-13-5-2-6-14-26/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeyRLANTRYHIWDGOU-UHFFFAOYSA-N
XLogP4.00
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
2-(4-Benzyl-1-piperazinyl)N'-(3-(2-methoxyphenyl)-2-propenylidene)acetohydrazide
CID 9633594
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
N-formyl-5-(-2'-methoxyphenyl)-3-phenylpyrazoline (1e)
CID 84973176
N-formyl-5-(-3'-methoxyphenyl)-3-phenylpyrazoline (1f)
CID 84973177
1-[3,5-Bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3773109
1-[(3R,3aR)-8-fluoro-3-(4-methoxyphenyl)-3a,4-dihydro-3H-chromeno[4,3-c]pyrazol-2-yl]ethanone
CID 16203328
2-[(3,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369356
2-[(4-Fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369431
2-[(2,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369449
1-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 2879720
1-[3-(4-Fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25146138

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone (CID 46029970) is 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone is COc1ccccc1C1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCCCC1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The InChIKey is RLANTRYHIWDGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-29-22-8-4-3-7-19(22)21-15-20(17-9-11-18(24)12-10-17)25-27(21)23(28)16-26-13-5-2-6-14-26/h3-4,7-12,21H,2,5-6,13-16H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone has a molecular weight of 395.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 46029970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).