2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol

C10H8Cl3F3N4O — CID 12025784

IUPAC2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(C(F)(F)F)nc(N2N=CCC2(O)C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H8Cl3F3N4O/c1-5-4-6(9(14,15)16)19-7(18-5)20-8(21,2-3-17-20)10(11,12)13/h3-4,21H,2H2,1H3
InChIKeyYREVFBKAHCULKH-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.06
Rot. Bonds1

About 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol (PubChem CID 12025784) has the molecular formula C10H8Cl3F3N4O and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol
PubChem CID12025784
Molecular FormulaC10H8Cl3F3N4O
Molecular Weight363.55 g/mol
Exact Mass361.97
IUPAC Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(C(F)(F)F)nc(N2N=CCC2(O)C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H8Cl3F3N4O/c1-5-4-6(9(14,15)16)19-7(18-5)20-8(21,2-3-17-20)10(11,12)13/h3-4,21H,2H2,1H3
InChIKeyYREVFBKAHCULKH-UHFFFAOYSA-N
XLogP3.06
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol (CID 12025784) is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol is Cc1cc(C(F)(F)F)nc(N2N=CCC2(O)C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol?
The InChIKey is YREVFBKAHCULKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3F3N4O/c1-5-4-6(9(14,15)16)19-7(18-5)20-8(21,2-3-17-20)10(11,12)13/h3-4,21H,2H2,1H3.
What are the key properties of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol?
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol has a molecular weight of 363.55 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 12025784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).