1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C8H7ClF6N2O — CID 103312651

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESCn1ncc(Cl)c1C(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7ClF6N2O/c1-17-4(3(9)2-16-17)5(18)6(7(10,11)12)8(13,14)15/h2,5-6,18H,1H3
InChIKeyDETJLEZRACKIFS-UHFFFAOYSA-N
MW296.60 g/mol
LogP2.85
Rot. Bonds2

About 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 103312651) has the molecular formula C8H7ClF6N2O and a molecular weight of 296.60 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID103312651
Molecular FormulaC8H7ClF6N2O
Molecular Weight296.60 g/mol
Exact Mass296.02
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESCn1ncc(Cl)c1C(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7ClF6N2O/c1-17-4(3(9)2-16-17)5(18)6(7(10,11)12)8(13,14)15/h2,5-6,18H,1H3
InChIKeyDETJLEZRACKIFS-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.60
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol with MolForge

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312325
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine
CID 105265541
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114648465
(4-chloro-1-methylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115836740
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114644848
[1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206072
(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105129742
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 103312651) is 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is Cn1ncc(Cl)c1C(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is DETJLEZRACKIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF6N2O/c1-17-4(3(9)2-16-17)5(18)6(7(10,11)12)8(13,14)15/h2,5-6,18H,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 296.60 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103312651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).