2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine

C25H25FN6 — CID 66503039

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine
SMILESCc1ccc(-n2cc(-c3ccnc(N4CCN(c5ccccc5F)CC4)n3)c(C)n2)cc1
InChIInChI=1S/C25H25FN6/c1-18-7-9-20(10-8-18)32-17-21(19(2)29-32)23-11-12-27-25(28-23)31-15-13-30(14-16-31)24-6-4-3-5-22(24)26/h3-12,17H,13-16H2,1-2H3
InChIKeyNTSYEZAOBZVAFK-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.41
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine (PubChem CID 66503039) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine
PubChem CID66503039
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine
SMILESCc1ccc(-n2cc(-c3ccnc(N4CCN(c5ccccc5F)CC4)n3)c(C)n2)cc1
InChIInChI=1S/C25H25FN6/c1-18-7-9-20(10-8-18)32-17-21(19(2)29-32)23-11-12-27-25(28-23)31-15-13-30(14-16-31)24-6-4-3-5-22(24)26/h3-12,17H,13-16H2,1-2H3
InChIKeyNTSYEZAOBZVAFK-UHFFFAOYSA-N
XLogP4.41
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 66503038
4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 66503193
ethyl 1-[4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502990
ethyl 1-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502845
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
CID 66502793
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898510
4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine
CID 66503240
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112898537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine (CID 66503039) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine is Cc1ccc(-n2cc(-c3ccnc(N4CCN(c5ccccc5F)CC4)n3)c(C)n2)cc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine?
The InChIKey is NTSYEZAOBZVAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c1-18-7-9-20(10-8-18)32-17-21(19(2)29-32)23-11-12-27-25(28-23)31-15-13-30(14-16-31)24-6-4-3-5-22(24)26/h3-12,17H,13-16H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine has a molecular weight of 428.52 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 66503039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).