3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C21H21FN4O3 — CID 42150716

IUPAC3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1occc1C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H21FN4O3/c1-14-18(8-12-29-14)21(28)25-10-6-17(7-11-25)26-19(5-9-23-26)24-20(27)15-3-2-4-16(22)13-15/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,24,27)
InChIKeyXHVQEHUVGFOWSG-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.65
Rot. Bonds4

About 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 42150716) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID42150716
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1occc1C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H21FN4O3/c1-14-18(8-12-29-14)21(28)25-10-6-17(7-11-25)26-19(5-9-23-26)24-20(27)15-3-2-4-16(22)13-15/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,24,27)
InChIKeyXHVQEHUVGFOWSG-UHFFFAOYSA-N
XLogP3.65
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
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N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
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3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
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CID 25366302
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3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
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CID 51145870
3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 74812362
1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
CID 26394200
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 42150716) is 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1occc1C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is XHVQEHUVGFOWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-14-18(8-12-29-14)21(28)25-10-6-17(7-11-25)26-19(5-9-23-26)24-20(27)15-3-2-4-16(22)13-15/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,24,27).
What are the key properties of 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 42150716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).