[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H18FN5O2 — CID 147419402

IUPAC[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2cc(F)ccc2O)n[nH]1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18FN5O2/c20-13-4-5-17(26)14(11-13)15-12-16(23-22-15)19(27)25-9-7-24(8-10-25)18-3-1-2-6-21-18/h1-6,11-12,26H,7-10H2,(H,22,23)
InChIKeyDSEDZLWCIUIVAX-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.28
Rot. Bonds3

About [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 147419402) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID147419402
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2cc(F)ccc2O)n[nH]1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18FN5O2/c20-13-4-5-17(26)14(11-13)15-12-16(23-22-15)19(27)25-9-7-24(8-10-25)18-3-1-2-6-21-18/h1-6,11-12,26H,7-10H2,(H,22,23)
InChIKeyDSEDZLWCIUIVAX-UHFFFAOYSA-N
XLogP2.28
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 147419402) is [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(-c2cc(F)ccc2O)n[nH]1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DSEDZLWCIUIVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-13-4-5-17(26)14(11-13)15-12-16(23-22-15)19(27)25-9-7-24(8-10-25)18-3-1-2-6-21-18/h1-6,11-12,26H,7-10H2,(H,22,23).
What are the key properties of [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 367.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 147419402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).