4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine

C30H25F3N4O — CID 19586231

IUPAC4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4cccc(C)c4)c(C)c3-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C30H25F3N4O/c1-18-7-5-9-22(15-18)27-20(3)28(23-10-6-8-19(2)16-23)37(36-27)29-34-25(17-26(35-29)30(31,32)33)21-11-13-24(38-4)14-12-21/h5-17H,1-4H3
InChIKeyMYHLDDXPBYGRMO-UHFFFAOYSA-N
MW514.55 g/mol
LogP7.62
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine

4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 19586231) has the molecular formula C30H25F3N4O and a molecular weight of 514.55 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID19586231
Molecular FormulaC30H25F3N4O
Molecular Weight514.55 g/mol
Exact Mass514.20
IUPAC Name4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4cccc(C)c4)c(C)c3-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C30H25F3N4O/c1-18-7-5-9-22(15-18)27-20(3)28(23-10-6-8-19(2)16-23)37(36-27)29-34-25(17-26(35-29)30(31,32)33)21-11-13-24(38-4)14-12-21/h5-17H,1-4H3
InChIKeyMYHLDDXPBYGRMO-UHFFFAOYSA-N
XLogP7.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 17025036
4-(furan-2-yl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586286
2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 19586547
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 17025723
2-[3,5-bis(3,4-dimethoxyphenyl)-4-ethylpyrazol-1-yl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 17025725
2-[4-chloro-3,5-bis(3-methylphenyl)pyrazol-1-yl]-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
CID 19586497
4-(1,3-dimethylpyrazol-4-yl)-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586589
3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
CID 19587307
2-(3-methoxy-5-methyl-4-nitropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 15998096
2-[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 17025286
4-(difluoromethyl)-6-(3,4-dimethylphenyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylpyrazolo[5,4-b]pyridine
CID 19916331
methyl 5-amino-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylate
CID 17253474

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine (CID 19586231) is 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine is COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4cccc(C)c4)c(C)c3-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is MYHLDDXPBYGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O/c1-18-7-5-9-22(15-18)27-20(3)28(23-10-6-8-19(2)16-23)37(36-27)29-34-25(17-26(35-29)30(31,32)33)21-11-13-24(38-4)14-12-21/h5-17H,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine?
4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 514.55 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19586231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).