1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine

C10H14F3N5 — CID 79299625

IUPAC1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2CC(F)(F)F
InChIInChI=1S/C10H14F3N5/c1-3-4-6-7-8(17(2)16-6)18(9(14)15-7)5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15)
InChIKeyKJCYKEKCRWVFCW-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.87
Rot. Bonds3

About 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine

1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79299625) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79299625
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2CC(F)(F)F
InChIInChI=1S/C10H14F3N5/c1-3-4-6-7-8(17(2)16-6)18(9(14)15-7)5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15)
InChIKeyKJCYKEKCRWVFCW-UHFFFAOYSA-N
XLogP1.87
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79299625) is 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2CC(F)(F)F.
What is the InChIKey of 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is KJCYKEKCRWVFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c1-3-4-6-7-8(17(2)16-6)18(9(14)15-7)5-10(11,12)13/h3-5H2,1-2H3,(H2,14,15).
What are the key properties of 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 261.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79299625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).