1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine

C10H7F3N6 — CID 104733191

IUPAC1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine
SMILESNc1ccn(-c2nccn3nc(C(F)(F)F)cc23)n1
InChIInChI=1S/C10H7F3N6/c11-10(12,13)7-5-6-9(15-2-4-18(6)16-7)19-3-1-8(14)17-19/h1-5H,(H2,14,17)
InChIKeyMJAJNIFRKYKVRQ-UHFFFAOYSA-N
MW268.20 g/mol
LogP1.52
Rot. Bonds1

About 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine

1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine (PubChem CID 104733191) has the molecular formula C10H7F3N6 and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine
PubChem CID104733191
Molecular FormulaC10H7F3N6
Molecular Weight268.20 g/mol
Exact Mass268.07
IUPAC Name1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine
SMILESNc1ccn(-c2nccn3nc(C(F)(F)F)cc23)n1
InChIInChI=1S/C10H7F3N6/c11-10(12,13)7-5-6-9(15-2-4-18(6)16-7)19-3-1-8(14)17-19/h1-5H,(H2,14,17)
InChIKeyMJAJNIFRKYKVRQ-UHFFFAOYSA-N
XLogP1.52
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine (CID 104733191) is 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine is Nc1ccn(-c2nccn3nc(C(F)(F)F)cc23)n1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine?
The InChIKey is MJAJNIFRKYKVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N6/c11-10(12,13)7-5-6-9(15-2-4-18(6)16-7)19-3-1-8(14)17-19/h1-5H,(H2,14,17).
What are the key properties of 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine?
1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine has a molecular weight of 268.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 104733191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).