[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol

C13H15F3N4O — CID 102787102

IUPAC[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nccn3nc(C(F)(F)F)cc23)C1CO
InChIInChI=1S/C13H15F3N4O/c1-8-2-4-19(10(8)7-21)12-9-6-11(13(14,15)16)18-20(9)5-3-17-12/h3,5-6,8,10,21H,2,4,7H2,1H3
InChIKeyRNGGMLYDTJWKKK-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.96
Rot. Bonds2

About [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol

[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 102787102) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID102787102
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nccn3nc(C(F)(F)F)cc23)C1CO
InChIInChI=1S/C13H15F3N4O/c1-8-2-4-19(10(8)7-21)12-9-6-11(13(14,15)16)18-20(9)5-3-17-12/h3,5-6,8,10,21H,2,4,7H2,1H3
InChIKeyRNGGMLYDTJWKKK-UHFFFAOYSA-N
XLogP1.96
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
CID 104892889
4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732607
N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine
CID 104732778
6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one
CID 139019410
[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 129413727
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 102780785
(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 104892904
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732974
[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784075
3-fluoro-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 102781599
N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730545
[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
CID 121020669

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol (CID 102787102) is [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol is CC1CCN(c2nccn3nc(C(F)(F)F)cc23)C1CO.
What is the InChIKey of [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is RNGGMLYDTJWKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-8-2-4-19(10(8)7-21)12-9-6-11(13(14,15)16)18-20(9)5-3-17-12/h3,5-6,8,10,21H,2,4,7H2,1H3.
What are the key properties of [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 300.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102787102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).