1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol

C6H6ClF3N2O — CID 114643514

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
SMILESCn1ncc(Cl)c1C(O)C(F)(F)F
InChIInChI=1S/C6H6ClF3N2O/c1-12-4(3(7)2-11-12)5(13)6(8,9)10/h2,5,13H,1H3
InChIKeyDTQMLRVXJLDCAL-UHFFFAOYSA-N
MW214.57 g/mol
LogP1.67
Rot. Bonds1

About 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol

1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol (PubChem CID 114643514) has the molecular formula C6H6ClF3N2O and a molecular weight of 214.57 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
PubChem CID114643514
Molecular FormulaC6H6ClF3N2O
Molecular Weight214.57 g/mol
Exact Mass214.01
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
SMILESCn1ncc(Cl)c1C(O)C(F)(F)F
InChIInChI=1S/C6H6ClF3N2O/c1-12-4(3(7)2-11-12)5(13)6(8,9)10/h2,5,13H,1H3
InChIKeyDTQMLRVXJLDCAL-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.57
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312651
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312325
[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
1-(4-bromo-1-methylpyrazol-5-yl)-2-chloro-2,2-difluoroethanol
CID 114645379
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
(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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol (CID 114643514) is 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol is Cn1ncc(Cl)c1C(O)C(F)(F)F.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol?
The InChIKey is DTQMLRVXJLDCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O/c1-12-4(3(7)2-11-12)5(13)6(8,9)10/h2,5,13H,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol?
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol has a molecular weight of 214.57 g/mol, XLogP of 1.67, 1 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)-2,2,2-trifluoroethanol is sourced from PubChem (CID 114643514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).