1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol

C10H15F3N2O — CID 112670389

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESCCc1nn(C)cc1C(O)CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-3-8-7(6-15(2)14-8)9(16)4-5-10(11,12)13/h6,9,16H,3-5H2,1-2H3
InChIKeyFXQFXKPTMUBBNB-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.36
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol

1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 112670389) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID112670389
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESCCc1nn(C)cc1C(O)CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-3-8-7(6-15(2)14-8)9(16)4-5-10(11,12)13/h6,9,16H,3-5H2,1-2H3
InChIKeyFXQFXKPTMUBBNB-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 119031793
(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527
(1S)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 146048589
(1S)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154832493
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)ethan-1-ol
CID 165723508
(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 51698679
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
1-(Cyclohexylmethyl)-4-hydroxymethyl-3-(trifluoromethyl)-1H-pyrazole
CID 58020861
1-(1-Benzyl-3-methyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethanol
CID 90029496

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol (CID 112670389) is 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol is CCc1nn(C)cc1C(O)CCC(F)(F)F.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is FXQFXKPTMUBBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-3-8-7(6-15(2)14-8)9(16)4-5-10(11,12)13/h6,9,16H,3-5H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol?
1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 236.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 112670389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).