5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

C19H18ClFN4OS — CID 75528397

IUPAC5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C19H18ClFN4OS/c20-12-3-4-15(21)14(10-12)19(26)22-13-5-7-25(8-6-13)18-11-16(23-24-18)17-2-1-9-27-17/h1-4,9-11,13H,5-8H2,(H,22,26)(H,23,24)
InChIKeyUNMKGNBHPFBKCV-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.33
Rot. Bonds4

About 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 75528397) has the molecular formula C19H18ClFN4OS and a molecular weight of 404.90 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID75528397
Molecular FormulaC19H18ClFN4OS
Molecular Weight404.90 g/mol
Exact Mass404.09
IUPAC Name5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C19H18ClFN4OS/c20-12-3-4-15(21)14(10-12)19(26)22-13-5-7-25(8-6-13)18-11-16(23-24-18)17-2-1-9-27-17/h1-4,9-11,13H,5-8H2,(H,22,26)(H,23,24)
InChIKeyUNMKGNBHPFBKCV-UHFFFAOYSA-N
XLogP4.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 75528397) is 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is UNMKGNBHPFBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4OS/c20-12-3-4-15(21)14(10-12)19(26)22-13-5-7-25(8-6-13)18-11-16(23-24-18)17-2-1-9-27-17/h1-4,9-11,13H,5-8H2,(H,22,26)(H,23,24).
What are the key properties of 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 404.90 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75528397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).