1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine

C11H14F3N5 — CID 106216799

IUPAC1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C3(C(F)(F)F)CC3)c21
InChIInChI=1S/C11H14F3N5/c1-3-18-8-7(6(2)17-18)16-9(15)19(8)10(4-5-10)11(12,13)14/h3-5H2,1-2H3,(H2,15,16)
InChIKeyOCSDLERBFIAZJQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.19
Rot. Bonds2

About 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine

1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 106216799) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID106216799
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C3(C(F)(F)F)CC3)c21
InChIInChI=1S/C11H14F3N5/c1-3-18-8-7(6(2)17-18)16-9(15)19(8)10(4-5-10)11(12,13)14/h3-5H2,1-2H3,(H2,15,16)
InChIKeyOCSDLERBFIAZJQ-UHFFFAOYSA-N
XLogP2.19
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine (CID 106216799) is 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(C3(C(F)(F)F)CC3)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is OCSDLERBFIAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-3-18-8-7(6(2)17-18)16-9(15)19(8)10(4-5-10)11(12,13)14/h3-5H2,1-2H3,(H2,15,16).
What are the key properties of 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 273.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 106216799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).