N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C14H17F3N4 — CID 104730545

IUPACN-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC1CCC(Nc2nccn3nc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C14H17F3N4/c1-9-2-4-10(5-3-9)19-13-11-8-12(14(15,16)17)20-21(11)7-6-18-13/h6-10H,2-5H2,1H3,(H,18,19)
InChIKeyDIVOSAAQXIJRRR-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.74
Rot. Bonds2

About N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730545) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730545
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC NameN-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC1CCC(Nc2nccn3nc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C14H17F3N4/c1-9-2-4-10(5-3-9)19-13-11-8-12(14(15,16)17)20-21(11)7-6-18-13/h6-10H,2-5H2,1H3,(H,18,19)
InChIKeyDIVOSAAQXIJRRR-UHFFFAOYSA-N
XLogP3.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104730545) is N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is CC1CCC(Nc2nccn3nc(C(F)(F)F)cc23)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DIVOSAAQXIJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-9-2-4-10(5-3-9)19-13-11-8-12(14(15,16)17)20-21(11)7-6-18-13/h6-10H,2-5H2,1H3,(H,18,19).
What are the key properties of N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 298.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).