4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide

C19H17F2N3O — CID 42686304

IUPAC4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2N3O/c1-2-4-16-18(22-19(25)12-7-9-14(20)10-8-12)17(24-23-16)13-5-3-6-15(21)11-13/h3,5-11H,2,4H2,1H3,(H,22,25)(H,23,24)
InChIKeyRCFTVKXIZSNACF-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.56
Rot. Bonds5

About 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide

4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide (PubChem CID 42686304) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
PubChem CID42686304
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2N3O/c1-2-4-16-18(22-19(25)12-7-9-14(20)10-8-12)17(24-23-16)13-5-3-6-15(21)11-13/h3,5-11H,2,4H2,1H3,(H,22,25)(H,23,24)
InChIKeyRCFTVKXIZSNACF-UHFFFAOYSA-N
XLogP4.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide (CID 42686304) is 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide is CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is RCFTVKXIZSNACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-2-4-16-18(22-19(25)12-7-9-14(20)10-8-12)17(24-23-16)13-5-3-6-15(21)11-13/h3,5-11H,2,4H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide?
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 341.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42686304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).