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

C25H26N6 — CID 66503038

IUPAC4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1ccc(-n2cc(-c3ccnc(N4CCN(c5ccccc5)CC4)n3)c(C)n2)cc1
InChIInChI=1S/C25H26N6/c1-19-8-10-22(11-9-19)31-18-23(20(2)28-31)24-12-13-26-25(27-24)30-16-14-29(15-17-30)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3
InChIKeyRNCYGTYJIOGMBW-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.27
Rot. Bonds4

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

4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 66503038) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID66503038
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1ccc(-n2cc(-c3ccnc(N4CCN(c5ccccc5)CC4)n3)c(C)n2)cc1
InChIInChI=1S/C25H26N6/c1-19-8-10-22(11-9-19)31-18-23(20(2)28-31)24-12-13-26-25(27-24)30-16-14-29(15-17-30)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3
InChIKeyRNCYGTYJIOGMBW-UHFFFAOYSA-N
XLogP4.27
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine
CID 66503039
4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 66503193
2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
CID 66502793
ethyl 1-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502845
ethyl 1-[4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502990
N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 66503071
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 171989140
4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine
CID 66503240
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896475
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine (CID 66503038) is 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine is Cc1ccc(-n2cc(-c3ccnc(N4CCN(c5ccccc5)CC4)n3)c(C)n2)cc1.
What is the InChIKey of 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is RNCYGTYJIOGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-19-8-10-22(11-9-19)31-18-23(20(2)28-31)24-12-13-26-25(27-24)30-16-14-29(15-17-30)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3.
What are the key properties of 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine?
4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 410.53 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 66503038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).