4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide

C23H23FN4O2 — CID 2927101

IUPAC4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCC1CCCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H23FN4O2/c1-16-6-5-13-27(15-16)23(30)20-14-25-28(19-7-3-2-4-8-19)21(20)26-22(29)17-9-11-18(24)12-10-17/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,26,29)
InChIKeyOKNZSRFFOKOPSQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.14
Rot. Bonds4

About 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide

4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 2927101) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID2927101
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCC1CCCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H23FN4O2/c1-16-6-5-13-27(15-16)23(30)20-14-25-28(19-7-3-2-4-8-19)21(20)26-22(29)17-9-11-18(24)12-10-17/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,26,29)
InChIKeyOKNZSRFFOKOPSQ-UHFFFAOYSA-N
XLogP4.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide (CID 2927101) is 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide is CC1CCCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is OKNZSRFFOKOPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-6-5-13-27(15-16)23(30)20-14-25-28(19-7-3-2-4-8-19)21(20)26-22(29)17-9-11-18(24)12-10-17/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,26,29).
What are the key properties of 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 406.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(3-methylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 2927101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).