3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine

C10H16F3N3O — CID 54961766

IUPAC3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine
SMILESCc1nn(CCCOCC(F)(F)F)c(C)c1N
InChIInChI=1S/C10H16F3N3O/c1-7-9(14)8(2)16(15-7)4-3-5-17-6-10(11,12)13/h3-6,14H2,1-2H3
InChIKeyJVTYLIYPCLMKNW-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.05
Rot. Bonds5

About 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine

3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine (PubChem CID 54961766) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine
PubChem CID54961766
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine
SMILESCc1nn(CCCOCC(F)(F)F)c(C)c1N
InChIInChI=1S/C10H16F3N3O/c1-7-9(14)8(2)16(15-7)4-3-5-17-6-10(11,12)13/h3-6,14H2,1-2H3
InChIKeyJVTYLIYPCLMKNW-UHFFFAOYSA-N
XLogP2.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine (CID 54961766) is 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine is Cc1nn(CCCOCC(F)(F)F)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine?
The InChIKey is JVTYLIYPCLMKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7-9(14)8(2)16(15-7)4-3-5-17-6-10(11,12)13/h3-6,14H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine?
3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine has a molecular weight of 251.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-amine is sourced from PubChem (CID 54961766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).