1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H17F3N4O — CID 113463436

IUPAC1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOc1c(C(CN)NCC(F)(F)F)c(C)nn1C
InChIInChI=1S/C10H17F3N4O/c1-6-8(9(18-3)17(2)16-6)7(4-14)15-5-10(11,12)13/h7,15H,4-5,14H2,1-3H3
InChIKeyFWPAGKISYSYIDD-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.89
Rot. Bonds5

About 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 113463436) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID113463436
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOc1c(C(CN)NCC(F)(F)F)c(C)nn1C
InChIInChI=1S/C10H17F3N4O/c1-6-8(9(18-3)17(2)16-6)7(4-14)15-5-10(11,12)13/h7,15H,4-5,14H2,1-3H3
InChIKeyFWPAGKISYSYIDD-UHFFFAOYSA-N
XLogP0.89
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 113463436) is 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is COc1c(C(CN)NCC(F)(F)F)c(C)nn1C.
What is the InChIKey of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is FWPAGKISYSYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-6-8(9(18-3)17(2)16-6)7(4-14)15-5-10(11,12)13/h7,15H,4-5,14H2,1-3H3.
What are the key properties of 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 266.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 113463436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).