[4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C20H19FN4O3 — CID 46104888

IUPAC[4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1-c1cccc(F)c1
InChIInChI=1S/C20H19FN4O3/c1-23-17(14-4-2-5-15(21)12-14)13-16(22-23)19(26)24-7-9-25(10-8-24)20(27)18-6-3-11-28-18/h2-6,11-13H,7-10H2,1H3
InChIKeyUKJQVHPKNMUFMN-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.42
Rot. Bonds3

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

[4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 46104888) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID46104888
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name[4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1-c1cccc(F)c1
InChIInChI=1S/C20H19FN4O3/c1-23-17(14-4-2-5-15(21)12-14)13-16(22-23)19(26)24-7-9-25(10-8-24)20(27)18-6-3-11-28-18/h2-6,11-13H,7-10H2,1H3
InChIKeyUKJQVHPKNMUFMN-UHFFFAOYSA-N
XLogP2.42
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109286543
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399827
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
[4-(3-fluorophenyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(furan-2-yl)methanone
CID 97462108
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 42879090
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
1-[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 110678672
[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262152
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 46104888) is [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is Cn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1-c1cccc(F)c1.
What is the InChIKey of [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is UKJQVHPKNMUFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-23-17(14-4-2-5-15(21)12-14)13-16(22-23)19(26)24-7-9-25(10-8-24)20(27)18-6-3-11-28-18/h2-6,11-13H,7-10H2,1H3.
What are the key properties of [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 382.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 46104888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).