4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide

C22H23FN4O — CID 42686466

IUPAC4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
SMILESCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O/c1-15-20(24-22(28)17-5-9-18(23)10-6-17)21(26-25-15)16-7-11-19(12-8-16)27-13-3-2-4-14-27/h5-12H,2-4,13-14H2,1H3,(H,24,28)(H,25,26)
InChIKeyDVSXPOJOHVAESK-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.77
Rot. Bonds4

About 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide

4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide (PubChem CID 42686466) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
PubChem CID42686466
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
SMILESCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O/c1-15-20(24-22(28)17-5-9-18(23)10-6-17)21(26-25-15)16-7-11-19(12-8-16)27-13-3-2-4-14-27/h5-12H,2-4,13-14H2,1H3,(H,24,28)(H,25,26)
InChIKeyDVSXPOJOHVAESK-UHFFFAOYSA-N
XLogP4.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide (CID 42686466) is 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide is Cc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is DVSXPOJOHVAESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-20(24-22(28)17-5-9-18(23)10-6-17)21(26-25-15)16-7-11-19(12-8-16)27-13-3-2-4-14-27/h5-12H,2-4,13-14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide?
4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42686466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).