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

C20H20FN5O — CID 46943052

IUPAC[3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCc1cc(F)ccc1-c1cc(C(=O)N2CCN(c3ccncc3)CC2)[nH]n1
InChIInChI=1S/C20H20FN5O/c1-14-12-15(21)2-3-17(14)18-13-19(24-23-18)20(27)26-10-8-25(9-11-26)16-4-6-22-7-5-16/h2-7,12-13H,8-11H2,1H3,(H,23,24)
InChIKeyLZMATVDMFWCZAE-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.88
Rot. Bonds3

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

[3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 46943052) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID46943052
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCc1cc(F)ccc1-c1cc(C(=O)N2CCN(c3ccncc3)CC2)[nH]n1
InChIInChI=1S/C20H20FN5O/c1-14-12-15(21)2-3-17(14)18-13-19(24-23-18)20(27)26-10-8-25(9-11-26)16-4-6-22-7-5-16/h2-7,12-13H,8-11H2,1H3,(H,23,24)
InChIKeyLZMATVDMFWCZAE-UHFFFAOYSA-N
XLogP2.88
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 46943052) is [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is Cc1cc(F)ccc1-c1cc(C(=O)N2CCN(c3ccncc3)CC2)[nH]n1.
What is the InChIKey of [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is LZMATVDMFWCZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-14-12-15(21)2-3-17(14)18-13-19(24-23-18)20(27)26-10-8-25(9-11-26)16-4-6-22-7-5-16/h2-7,12-13H,8-11H2,1H3,(H,23,24).
What are the key properties of [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 46943052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).