1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol

C11H17F3N2O — CID 112670336

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
SMILESCCc1nn(C)cc1C(O)CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-3-9-8(7-16(2)15-9)10(17)5-4-6-11(12,13)14/h7,10,17H,3-6H2,1-2H3
InChIKeyMAJBIFQKNVKVPT-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol

1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol (PubChem CID 112670336) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
PubChem CID112670336
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
SMILESCCc1nn(C)cc1C(O)CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-3-9-8(7-16(2)15-9)10(17)5-4-6-11(12,13)14/h7,10,17H,3-6H2,1-2H3
InChIKeyMAJBIFQKNVKVPT-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 146048589
(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
(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanol
CID 105429741
(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
[5-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanol
CID 90300104
[3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol
CID 122532996
2-(5-Tert-butyl-1-propan-2-ylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 126749933
1,1,1-Trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol
CID 126758601

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol (CID 112670336) is 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol is CCc1nn(C)cc1C(O)CCCC(F)(F)F.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is MAJBIFQKNVKVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-9-8(7-16(2)15-9)10(17)5-4-6-11(12,13)14/h7,10,17H,3-6H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 250.26 g/mol, XLogP of 2.75, 5 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)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 112670336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).