1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol

C8H11F3N2O3 — CID 170818205

IUPAC1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol
SMILESCc1[nH]nc(C(F)(F)F)c1C(O)C(O)CO
InChIInChI=1S/C8H11F3N2O3/c1-3-5(6(16)4(15)2-14)7(13-12-3)8(9,10)11/h4,6,14-16H,2H2,1H3,(H,12,13)
InChIKeyOVSQNHBDINEHCM-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.12
Rot. Bonds3

About 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol

1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol (PubChem CID 170818205) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol
PubChem CID170818205
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol
SMILESCc1[nH]nc(C(F)(F)F)c1C(O)C(O)CO
InChIInChI=1S/C8H11F3N2O3/c1-3-5(6(16)4(15)2-14)7(13-12-3)8(9,10)11/h4,6,14-16H,2H2,1H3,(H,12,13)
InChIKeyOVSQNHBDINEHCM-UHFFFAOYSA-N
XLogP0.12
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propane-1,2,3-triol
CID 170819193
3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 170827509
3-chloro-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 171861478
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane
CID 163231919
5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 165431141
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818684
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
CID 55282490
1-(5-methyl-1H-pyrazol-4-yl)propane-1,2,3-triol
CID 170817285
[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol
CID 105438499
4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide
CID 171898617
1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol
CID 170818245
3-tert-butyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 160726622

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol?
The IUPAC name of 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol (CID 170818205) is 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol.
What is the SMILES notation for 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol?
The canonical SMILES for 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol is Cc1[nH]nc(C(F)(F)F)c1C(O)C(O)CO.
What is the InChIKey of 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol?
The InChIKey is OVSQNHBDINEHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-3-5(6(16)4(15)2-14)7(13-12-3)8(9,10)11/h4,6,14-16H,2H2,1H3,(H,12,13).
What are the key properties of 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol?
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol has a molecular weight of 240.18 g/mol, XLogP of 0.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol is sourced from PubChem (CID 170818205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).