[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone

C20H19FN4O — CID 70787219

IUPAC[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C20H19FN4O/c21-16-8-4-7-15(11-16)19-17(12-23-24-19)20(26)25-10-9-22-18(13-25)14-5-2-1-3-6-14/h1-8,11-12,18,22H,9-10,13H2,(H,23,24)
InChIKeyXPRZPJVUPOOGQJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.00
Rot. Bonds3

About [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone (PubChem CID 70787219) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone
PubChem CID70787219
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C20H19FN4O/c21-16-8-4-7-15(11-16)19-17(12-23-24-19)20(26)25-10-9-22-18(13-25)14-5-2-1-3-6-14/h1-8,11-12,18,22H,9-10,13H2,(H,23,24)
InChIKeyXPRZPJVUPOOGQJ-UHFFFAOYSA-N
XLogP3.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone (CID 70787219) is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone is O=C(c1cn[nH]c1-c1cccc(F)c1)N1CCNC(c2ccccc2)C1.
What is the InChIKey of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone?
The InChIKey is XPRZPJVUPOOGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-8-4-7-15(11-16)19-17(12-23-24-19)20(26)25-10-9-22-18(13-25)14-5-2-1-3-6-14/h1-8,11-12,18,22H,9-10,13H2,(H,23,24).
What are the key properties of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone?
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(3-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 70787219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).