2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

C23H18F6N4O2 — CID 19582773

IUPAC2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(N3N=C(c4ccc(C)cc4)CC3(O)C(F)(F)F)n2)c1
InChIInChI=1S/C23H18F6N4O2/c1-13-6-8-14(9-7-13)18-12-21(34,23(27,28)29)33(32-18)20-30-17(11-19(31-20)22(24,25)26)15-4-3-5-16(10-15)35-2/h3-11,34H,12H2,1-2H3
InChIKeyUCIZKSFSFVJEIL-UHFFFAOYSA-N
MW496.41 g/mol
LogP5.34
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 19582773) has the molecular formula C23H18F6N4O2 and a molecular weight of 496.41 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID19582773
Molecular FormulaC23H18F6N4O2
Molecular Weight496.41 g/mol
Exact Mass496.13
IUPAC Name2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(N3N=C(c4ccc(C)cc4)CC3(O)C(F)(F)F)n2)c1
InChIInChI=1S/C23H18F6N4O2/c1-13-6-8-14(9-7-13)18-12-21(34,23(27,28)29)33(32-18)20-30-17(11-19(31-20)22(24,25)26)15-4-3-5-16(10-15)35-2/h3-11,34H,12H2,1-2H3
InChIKeyUCIZKSFSFVJEIL-UHFFFAOYSA-N
XLogP5.34
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 19582773) is 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is COc1cccc(-c2cc(C(F)(F)F)nc(N3N=C(c4ccc(C)cc4)CC3(O)C(F)(F)F)n2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is UCIZKSFSFVJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N4O2/c1-13-6-8-14(9-7-13)18-12-21(34,23(27,28)29)33(32-18)20-30-17(11-19(31-20)22(24,25)26)15-4-3-5-16(10-15)35-2/h3-11,34H,12H2,1-2H3.
What are the key properties of 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 496.41 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 19582773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).