(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone

C26H23FN4O3 — CID 55878777

IUPAC(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C26H23FN4O3/c1-18-9-10-19(16-21(18)27)25(32)29-11-13-30(14-12-29)26(33)23-17-22(24-8-5-15-34-24)28-31(23)20-6-3-2-4-7-20/h2-10,15-17H,11-14H2,1H3
InChIKeyNNLUYZXSUBHJLZ-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.18
Rot. Bonds4

About (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone (PubChem CID 55878777) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone
PubChem CID55878777
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC Name(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C26H23FN4O3/c1-18-9-10-19(16-21(18)27)25(32)29-11-13-30(14-12-29)26(33)23-17-22(24-8-5-15-34-24)28-31(23)20-6-3-2-4-7-20/h2-10,15-17H,11-14H2,1H3
InChIKeyNNLUYZXSUBHJLZ-UHFFFAOYSA-N
XLogP4.18
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42159681
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682960
1,4-diazepan-1-yl-[3-(furan-2-yl)-1-phenylpyrazol-5-yl]methanone;hydrochloride
CID 119414159
(4-benzhydrylpiperazin-1-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 1053847
6-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175414
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
CID 1053447
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
(3R)-3-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]azepan-2-one
CID 95778163
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493046
2-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55489403

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone (CID 55878777) is (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone?
The InChIKey is NNLUYZXSUBHJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-18-9-10-19(16-21(18)27)25(32)29-11-13-30(14-12-29)26(33)23-17-22(24-8-5-15-34-24)28-31(23)20-6-3-2-4-7-20/h2-10,15-17H,11-14H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone has a molecular weight of 458.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55878777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).