1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone

C15H16FN5O3 — CID 120737642

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H16FN5O3/c16-12-3-1-2-11(8-12)13-9-17-5-7-20(13)15(22)10-19-6-4-14(18-19)21(23)24/h1-4,6,8,13,17H,5,7,9-10H2
InChIKeyJGHSKKFSNLAUAZ-UHFFFAOYSA-N
MW333.32 g/mol
LogP1.10
Rot. Bonds4

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone (PubChem CID 120737642) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
PubChem CID120737642
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H16FN5O3/c16-12-3-1-2-11(8-12)13-9-17-5-7-20(13)15(22)10-19-6-4-14(18-19)21(23)24/h1-4,6,8,13,17H,5,7,9-10H2
InChIKeyJGHSKKFSNLAUAZ-UHFFFAOYSA-N
XLogP1.10
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120737844
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735849
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine
CID 120770851
2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride
CID 120770850
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone (CID 120737642) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone is O=C(Cn1ccc([N+](=O)[O-])n1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone?
The InChIKey is JGHSKKFSNLAUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c16-12-3-1-2-11(8-12)13-9-17-5-7-20(13)15(22)10-19-6-4-14(18-19)21(23)24/h1-4,6,8,13,17H,5,7,9-10H2.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone has a molecular weight of 333.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone is sourced from PubChem (CID 120737642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).