2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol

C8H10ClF3N2O — CID 117670210

IUPAC2-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCC(C)(C1=C(C(=NN1C)C(F)(F)F)Cl)O
InChIInChI=1S/C8H10ClF3N2O/c1-7(2,15)6-4(9)5(8(10,11)12)13-14(6)3/h15H,1-3H3
InChIKeyZRRPZZNMZYPYLZ-UHFFFAOYSA-N
MW242.62 g/mol
LogP1.50
Rot. Bonds1

About 2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol

2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol (PubChem CID 117670210) has the molecular formula C8H10ClF3N2O and a molecular weight of 242.62 g/mol. Its IUPAC name is 2-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
PubChem CID117670210
Molecular FormulaC8H10ClF3N2O
Molecular Weight242.62 g/mol
Exact Mass242.04
IUPAC Name2-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCC(C)(C1=C(C(=NN1C)C(F)(F)F)Cl)O
InChIInChI=1S/C8H10ClF3N2O/c1-7(2,15)6-4(9)5(8(10,11)12)13-14(6)3/h15H,1-3H3
InChIKeyZRRPZZNMZYPYLZ-UHFFFAOYSA-N
XLogP1.50
TPSA38.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.62
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol (CID 117670210) is 2-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol is CC(C)(C1=C(C(=NN1C)C(F)(F)F)Cl)O.
What is the InChIKey of 2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol?
The InChIKey is ZRRPZZNMZYPYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O/c1-7(2,15)6-4(9)5(8(10,11)12)13-14(6)3/h15H,1-3H3.
What are the key properties of 2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol?
2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol has a molecular weight of 242.62 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 117670210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).