2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine

C27H21F3N4O3 — CID 19586547

IUPAC2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c(-c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C27H21F3N4O3/c1-16-24(17-6-10-19(35-2)11-7-17)33-34(25(16)18-8-12-20(36-3)13-9-18)26-31-21(22-5-4-14-37-22)15-23(32-26)27(28,29)30/h4-15H,1-3H3
InChIKeyFYPPEMWQCYSQSL-UHFFFAOYSA-N
MW506.48 g/mol
LogP6.60
Rot. Bonds6

About 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine

2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 19586547) has the molecular formula C27H21F3N4O3 and a molecular weight of 506.48 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID19586547
Molecular FormulaC27H21F3N4O3
Molecular Weight506.48 g/mol
Exact Mass506.16
IUPAC Name2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c(-c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C27H21F3N4O3/c1-16-24(17-6-10-19(35-2)11-7-17)33-34(25(16)18-8-12-20(36-3)13-9-18)26-31-21(22-5-4-14-37-22)15-23(32-26)27(28,29)30/h4-15H,1-3H3
InChIKeyFYPPEMWQCYSQSL-UHFFFAOYSA-N
XLogP6.60
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.48
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(furan-2-yl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586286
4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586231
4-(3-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 17025036
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 17025723
4-(1,3-dimethylpyrazol-4-yl)-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586589
2-[3,5-bis(3,4-dimethoxyphenyl)-4-ethylpyrazol-1-yl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 17025725
1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole
CID 3241637
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 19582756
2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 19583785
4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 167530542
(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40600389
4-(furan-2-yl)-2-(3-nitropyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 4074995

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine (CID 19586547) is 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine is COc1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c(-c3ccc(OC)cc3)c2C)cc1.
What is the InChIKey of 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is FYPPEMWQCYSQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4O3/c1-16-24(17-6-10-19(35-2)11-7-17)33-34(25(16)18-8-12-20(36-3)13-9-18)26-31-21(22-5-4-14-37-22)15-23(32-26)27(28,29)30/h4-15H,1-3H3.
What are the key properties of 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine?
2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 506.48 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methoxyphenyl)-4-methylpyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19586547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).