N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C16H16F3N5O — CID 166434337

IUPACN-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3cc(C4CCCC4)on3)nccn2n1
InChIInChI=1S/C16H16F3N5O/c17-16(18,19)14-8-12-15(20-5-6-24(12)22-14)21-9-11-7-13(25-23-11)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,20,21)
InChIKeyHLKIWIMHOYWMML-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.01
Rot. Bonds4

About N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 166434337) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID166434337
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC NameN-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3cc(C4CCCC4)on3)nccn2n1
InChIInChI=1S/C16H16F3N5O/c17-16(18,19)14-8-12-15(20-5-6-24(12)22-14)21-9-11-7-13(25-23-11)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,20,21)
InChIKeyHLKIWIMHOYWMML-UHFFFAOYSA-N
XLogP4.01
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 166434337) is N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)c1cc2c(NCc3cc(C4CCCC4)on3)nccn2n1.
What is the InChIKey of N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is HLKIWIMHOYWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O/c17-16(18,19)14-8-12-15(20-5-6-24(12)22-14)21-9-11-7-13(25-23-11)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,20,21).
What are the key properties of N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 351.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 166434337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).