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

C16H13F3N4O — CID 154782596

IUPAC1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)14-8-12-15(20-6-7-23(12)22-14)21-11-5-4-10-9(11)2-1-3-13(10)24/h1-3,6-8,11,24H,4-5H2,(H,20,21)
InChIKeyPMYVMEMEBYYWJU-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.55
Rot. Bonds2

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

1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 154782596) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID154782596
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)14-8-12-15(20-6-7-23(12)22-14)21-11-5-4-10-9(11)2-1-3-13(10)24/h1-3,6-8,11,24H,4-5H2,(H,20,21)
InChIKeyPMYVMEMEBYYWJU-UHFFFAOYSA-N
XLogP3.55
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

N-cyclopentyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730383
N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730545
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 82794380
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine
CID 104732329
2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine
CID 104732368
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine
CID 104732485
N'-cyclopropyl-N'-methyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104731399
3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol
CID 104731784
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731763
N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106896541
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
2-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 106215074

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol (CID 154782596) is 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2Nc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is PMYVMEMEBYYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)14-8-12-15(20-6-7-23(12)22-14)21-11-5-4-10-9(11)2-1-3-13(10)24/h1-3,6-8,11,24H,4-5H2,(H,20,21).
What are the key properties of 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol?
1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 334.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 154782596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).