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

C23H26FN3O2 — CID 93229859

IUPAC1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)CN1CCCCC1
InChIInChI=1S/C23H26FN3O2/c1-29-22-11-4-3-10-19(22)21-15-20(17-8-7-9-18(24)14-17)25-27(21)23(28)16-26-12-5-2-6-13-26/h3-4,7-11,14,21H,2,5-6,12-13,15-16H2,1H3/t21-/m1/s1
InChIKeyXFTXXHBIYZAWKJ-OAQYLSRUSA-N
MW395.48 g/mol
LogP4.00
Rot. Bonds5

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

1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone (PubChem CID 93229859) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
PubChem CID93229859
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)CN1CCCCC1
InChIInChI=1S/C23H26FN3O2/c1-29-22-11-4-3-10-19(22)21-15-20(17-8-7-9-18(24)14-17)25-27(21)23(28)16-26-12-5-2-6-13-26/h3-4,7-11,14,21H,2,5-6,12-13,15-16H2,1H3/t21-/m1/s1
InChIKeyXFTXXHBIYZAWKJ-OAQYLSRUSA-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-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93229733
1-[(3R)-5-(3-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 93229459
1-[2-[(3R)-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 93228048
1-[5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 42845242
2-(4-acetylpiperazin-1-yl)-1-[(3R)-5-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93226900
1-[5-(4-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperidin-1-yl)ethanone
CID 42844570
ethyl 1-[2-[(3S)-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 93229780
6-chloro-3-[(3S)-3-(2-methoxyphenyl)-2-(2-piperidin-1-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 136691266
2-(4-benzylpiperazin-1-yl)-1-[(3S)-3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93228774
ethyl (3R)-1-[2-[(3R)-5-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxylate
CID 98632043
1-[3,5-bis(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 42844870
1-[5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 42844847

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone (CID 93229859) is 1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone is COc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)CN1CCCCC1.
What is the InChIKey of 1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
The InChIKey is XFTXXHBIYZAWKJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-29-22-11-4-3-10-19(22)21-15-20(17-8-7-9-18(24)14-17)25-27(21)23(28)16-26-12-5-2-6-13-26/h3-4,7-11,14,21H,2,5-6,12-13,15-16H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone?
1-[(3R)-5-(3-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-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 93229859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).