2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine

C14H19F3N4 — CID 104731973

IUPAC2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCCCC(F)(F)F)nccn2n1
InChIInChI=1S/C14H19F3N4/c1-13(2,3)11-9-10-12(19-7-8-21(10)20-11)18-6-4-5-14(15,16)17/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyDQVITBSHMRYJRC-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.78
Rot. Bonds4

About 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731973) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731973
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCCCC(F)(F)F)nccn2n1
InChIInChI=1S/C14H19F3N4/c1-13(2,3)11-9-10-12(19-7-8-21(10)20-11)18-6-4-5-14(15,16)17/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyDQVITBSHMRYJRC-UHFFFAOYSA-N
XLogP3.78
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731976
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731532
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951
N-(4-methoxybutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731181
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
CID 116644524
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733925

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731973) is 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)(C)c1cc2c(NCCCC(F)(F)F)nccn2n1.
What is the InChIKey of 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DQVITBSHMRYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-13(2,3)11-9-10-12(19-7-8-21(10)20-11)18-6-4-5-14(15,16)17/h7-9H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 300.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).