methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate

C10H14F3N3O2 — CID 55143180

IUPACmethyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
SMILESCNC(CCn1ccc(C(F)(F)F)n1)C(=O)OC
InChIInChI=1S/C10H14F3N3O2/c1-14-7(9(17)18-2)3-5-16-6-4-8(15-16)10(11,12)13/h4,6-7,14H,3,5H2,1-2H3
InChIKeyNLZYFMMILLISIO-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.05
Rot. Bonds5

About methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate

methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate (PubChem CID 55143180) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
PubChem CID55143180
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
SMILESCNC(CCn1ccc(C(F)(F)F)n1)C(=O)OC
InChIInChI=1S/C10H14F3N3O2/c1-14-7(9(17)18-2)3-5-16-6-4-8(15-16)10(11,12)13/h4,6-7,14H,3,5H2,1-2H3
InChIKeyNLZYFMMILLISIO-UHFFFAOYSA-N
XLogP1.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The IUPAC name of methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate (CID 55143180) is methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The canonical SMILES for methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate is CNC(CCn1ccc(C(F)(F)F)n1)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The InChIKey is NLZYFMMILLISIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-14-7(9(17)18-2)3-5-16-6-4-8(15-16)10(11,12)13/h4,6-7,14H,3,5H2,1-2H3.
What are the key properties of methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate?
methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate has a molecular weight of 265.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate is sourced from PubChem (CID 55143180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).