1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine

C9H12F3N5 — CID 79297153

IUPAC1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CCC(F)(F)F
InChIInChI=1S/C9H12F3N5/c1-5-6-7(16(2)15-5)17(8(13)14-6)4-3-9(10,11)12/h3-4H2,1-2H3,(H2,13,14)
InChIKeyFTSPPIPOOPJRSR-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.61
Rot. Bonds2

About 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine

1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79297153) has the molecular formula C9H12F3N5 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79297153
Molecular FormulaC9H12F3N5
Molecular Weight247.22 g/mol
Exact Mass247.10
IUPAC Name1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CCC(F)(F)F
InChIInChI=1S/C9H12F3N5/c1-5-6-7(16(2)15-5)17(8(13)14-6)4-3-9(10,11)12/h3-4H2,1-2H3,(H2,13,14)
InChIKeyFTSPPIPOOPJRSR-UHFFFAOYSA-N
XLogP1.61
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine (CID 79297153) is 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2CCC(F)(F)F.
What is the InChIKey of 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is FTSPPIPOOPJRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5/c1-5-6-7(16(2)15-5)17(8(13)14-6)4-3-9(10,11)12/h3-4H2,1-2H3,(H2,13,14).
What are the key properties of 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 247.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79297153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).