(1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine

C7H10F3N3 — CID 59544169

IUPAC(1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-4(11)5-3-12-13(2)6(5)7(8,9)10/h3-4H,11H2,1-2H3/t4-/m1/s1
InChIKeyMJBSJTJFPMFBOQ-SCSAIBSYSA-N
MW193.17 g/mol
LogP1.46
Rot. Bonds1

About (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine

(1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine (PubChem CID 59544169) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
PubChem CID59544169
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name(1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-4(11)5-3-12-13(2)6(5)7(8,9)10/h3-4H,11H2,1-2H3/t4-/m1/s1
InChIKeyMJBSJTJFPMFBOQ-SCSAIBSYSA-N
XLogP1.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine (CID 59544169) is (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine is C[C@@H](N)c1cnn(C)c1C(F)(F)F.
What is the InChIKey of (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The InChIKey is MJBSJTJFPMFBOQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(11)5-3-12-13(2)6(5)7(8,9)10/h3-4H,11H2,1-2H3/t4-/m1/s1.
What are the key properties of (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
(1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine has a molecular weight of 193.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 59544169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).