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

C14H17F3N4 — CID 133489105

IUPAC2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC3CCCC(C(F)(F)F)C3)nccn2n1
InChIInChI=1S/C14H17F3N4/c1-9-7-12-13(18-5-6-21(12)20-9)19-11-4-2-3-10(8-11)14(15,16)17/h5-7,10-11H,2-4,8H2,1H3,(H,18,19)
InChIKeyOSAQHYHYYWMXIK-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.57
Rot. Bonds2

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

2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 133489105) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID133489105
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC3CCCC(C(F)(F)F)C3)nccn2n1
InChIInChI=1S/C14H17F3N4/c1-9-7-12-13(18-5-6-21(12)20-9)19-11-4-2-3-10(8-11)14(15,16)17/h5-7,10-11H,2-4,8H2,1H3,(H,18,19)
InChIKeyOSAQHYHYYWMXIK-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734005
N-(3,5-dimethylcyclohexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731655
4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol
CID 104925008
2-methyl-N-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730955
2-methyl-N-(2-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106996052
2-methyl-N-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731025
N-(2,2-dimethylcyclohexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731858
N-cyclopentyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730383
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731297
N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730545
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclobutane-1,3-diamine
CID 104732329
2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 107849242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 133489105) is 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NC3CCCC(C(F)(F)F)C3)nccn2n1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is OSAQHYHYYWMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-9-7-12-13(18-5-6-21(12)20-9)19-11-4-2-3-10(8-11)14(15,16)17/h5-7,10-11H,2-4,8H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 298.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 133489105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).