2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine

C13H16F3N5 — CID 104732368

IUPAC2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H16F3N5/c14-13(15,16)11-7-10-12(18-5-6-21(10)20-11)19-9-4-2-1-3-8(9)17/h5-9H,1-4,17H2,(H,18,19)
InChIKeyQLPOLVQFTBCDHF-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.43
Rot. Bonds2

About 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine

2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine (PubChem CID 104732368) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine
PubChem CID104732368
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H16F3N5/c14-13(15,16)11-7-10-12(18-5-6-21(10)20-11)19-9-4-2-1-3-8(9)17/h5-9H,1-4,17H2,(H,18,19)
InChIKeyQLPOLVQFTBCDHF-UHFFFAOYSA-N
XLogP2.43
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine (CID 104732368) is 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine is NC1CCCCC1Nc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine?
The InChIKey is QLPOLVQFTBCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c14-13(15,16)11-7-10-12(18-5-6-21(10)20-11)19-9-4-2-1-3-8(9)17/h5-9H,1-4,17H2,(H,18,19).
What are the key properties of 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine?
2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine has a molecular weight of 299.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 104732368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).