[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C18H17FN4O2 — CID 20906461

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-3-5-14(6-4-13)22-7-9-23(10-8-22)18(24)16-12-15(20-21-16)17-2-1-11-25-17/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyCAWCIXJEZSMFRW-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.77
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 20906461) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID20906461
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-3-5-14(6-4-13)22-7-9-23(10-8-22)18(24)16-12-15(20-21-16)17-2-1-11-25-17/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyCAWCIXJEZSMFRW-UHFFFAOYSA-N
XLogP2.77
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 662731
ethyl 4-[4-(furan-2-yl)-3-methyl-6-oxo-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]benzoate
CID 663175
[2-(3-Chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 1053503
5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
1-(4-Bromobenzenesulfonyl)-4-[3-(furan-2-YL)-1H-pyrazole-5-carbonyl]piperazine
CID 20910804
1-(4-Chlorobenzenesulfonyl)-4-[3-(furan-2-YL)-1H-pyrazole-5-carbonyl]piperazine
CID 20910808
5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide
CID 3649375
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523385
N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide
CID 121318024
N-Cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272583
1-(4-Fluorophenyl)-2-[4-[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 24811650
Ethyl 4-[4-(4-fluorophenyl)-3-(furan-2-yl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 5301551

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 20906461) is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is CAWCIXJEZSMFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-3-5-14(6-4-13)22-7-9-23(10-8-22)18(24)16-12-15(20-21-16)17-2-1-11-25-17/h1-6,11-12H,7-10H2,(H,20,21).
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 340.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 20906461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).