1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine

C19H20FN5 — CID 127048234

IUPAC1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4F)cn3)cc2)CC1
InChIInChI=1S/C19H20FN5/c1-23-8-10-24(11-9-23)16-2-4-17(5-3-16)25-14-15(12-22-25)18-6-7-21-13-19(18)20/h2-7,12-14H,8-11H2,1H3
InChIKeyIYTRPENPLKPJIZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine

1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine (PubChem CID 127048234) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
PubChem CID127048234
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4F)cn3)cc2)CC1
InChIInChI=1S/C19H20FN5/c1-23-8-10-24(11-9-23)16-2-4-17(5-3-16)25-14-15(12-22-25)18-6-7-21-13-19(18)20/h2-7,12-14H,8-11H2,1H3
InChIKeyIYTRPENPLKPJIZ-UHFFFAOYSA-N
XLogP2.83
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

GW-6604
CID 9861063
1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
4-(4-methylphenyl)-N-[(E)-3-pyridinylmethylidene]-1-piperazinamine
CID 5727668
4-(4-methylphenyl)-N-(4-pyridinylmethylene)-1-piperazinamine
CID 5727667
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 10403608

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine (CID 127048234) is 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine is CN1CCN(c2ccc(-n3cc(-c4ccncc4F)cn3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The InChIKey is IYTRPENPLKPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-23-8-10-24(11-9-23)16-2-4-17(5-3-16)25-14-15(12-22-25)18-6-7-21-13-19(18)20/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine has a molecular weight of 337.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 127048234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).