1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine

C11H19F3N4O — CID 66017928

IUPAC1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCOCC(F)(F)F)c1N
InChIInChI=1S/C11H19F3N4O/c1-3-4-8-9(15)10(18(2)17-8)16-5-6-19-7-11(12,13)14/h16H,3-7,15H2,1-2H3
InChIKeyMQWBULZOWGPACI-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.95
Rot. Bonds7

About 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine

1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine (PubChem CID 66017928) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
PubChem CID66017928
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCOCC(F)(F)F)c1N
InChIInChI=1S/C11H19F3N4O/c1-3-4-8-9(15)10(18(2)17-8)16-5-6-19-7-11(12,13)14/h16H,3-7,15H2,1-2H3
InChIKeyMQWBULZOWGPACI-UHFFFAOYSA-N
XLogP1.95
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 63828161
1-methyl-3-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66010967
1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66012666
1-methyl-3-propan-2-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66012728
3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66013855
3-ethyl-1-methyl-4-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-5-amine
CID 66014014
3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66014045
5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014216
3-Ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
CID 66014630
3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014791
5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014815
3-ethyl-1-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014817

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine (CID 66017928) is 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine is CCCc1nn(C)c(NCCOCC(F)(F)F)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The InChIKey is MQWBULZOWGPACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-3-4-8-9(15)10(18(2)17-8)16-5-6-19-7-11(12,13)14/h16H,3-7,15H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine has a molecular weight of 280.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66017928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).