3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol

C10H11F3N4O — CID 104733799

IUPAC3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol
SMILESNCC(CO)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)8-3-7-9(6(4-14)5-18)15-1-2-17(7)16-8/h1-3,6,18H,4-5,14H2
InChIKeySSOSHHVHOQBRPR-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol

3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol (PubChem CID 104733799) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol
PubChem CID104733799
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol
SMILESNCC(CO)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)8-3-7-9(6(4-14)5-18)15-1-2-17(7)16-8/h1-3,6,18H,4-5,14H2
InChIKeySSOSHHVHOQBRPR-UHFFFAOYSA-N
XLogP0.78
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 113446440
2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
CID 104734259
4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732302
[1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 104733756
4-(4-chlorobutan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732292
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
CID 104734344
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine
CID 104733191
N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446668

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol?
The IUPAC name of 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol (CID 104733799) is 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol?
The canonical SMILES for 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol is NCC(CO)c1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol?
The InChIKey is SSOSHHVHOQBRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)8-3-7-9(6(4-14)5-18)15-1-2-17(7)16-8/h1-3,6,18H,4-5,14H2.
What are the key properties of 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol?
3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol has a molecular weight of 260.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol is sourced from PubChem (CID 104733799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).