2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

C26H27FN4O2 — CID 46800982

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(F)cc4)CC3)C(c3ccco3)C2)cc1
InChIInChI=1S/C26H27FN4O2/c1-19-4-6-20(7-5-19)23-17-24(25-3-2-16-33-25)31(28-23)26(32)18-29-12-14-30(15-13-29)22-10-8-21(27)9-11-22/h2-11,16,24H,12-15,17-18H2,1H3
InChIKeyJYXKKLZSODIEDM-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.23
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 46800982) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID46800982
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(F)cc4)CC3)C(c3ccco3)C2)cc1
InChIInChI=1S/C26H27FN4O2/c1-19-4-6-20(7-5-19)23-17-24(25-3-2-16-33-25)31(28-23)26(32)18-29-12-14-30(15-13-29)22-10-8-21(27)9-11-22/h2-11,16,24H,12-15,17-18H2,1H3
InChIKeyJYXKKLZSODIEDM-UHFFFAOYSA-N
XLogP4.23
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93227039
1-[(3R)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 93227044
1-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 8530671
1-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]but-3-en-1-one
CID 100765400
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)ethanone
CID 166392244
2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 30629963
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 1384335
1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 7407270
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 40862530
1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 46801123
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3791502
1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 8896354

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 46800982) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(F)cc4)CC3)C(c3ccco3)C2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is JYXKKLZSODIEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-19-4-6-20(7-5-19)23-17-24(25-3-2-16-33-25)31(28-23)26(32)18-29-12-14-30(15-13-29)22-10-8-21(27)9-11-22/h2-11,16,24H,12-15,17-18H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 446.53 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 46800982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).