1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine

C8H11ClF3N3 — CID 147015112

IUPAC1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H11ClF3N3/c1-4(13-2)6-5(9)7(8(10,11)12)14-15(6)3/h4,13H,1-3H3
InChIKeyAUPTXKORBDMCQP-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.37
Rot. Bonds2

About 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine

1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine (PubChem CID 147015112) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine
PubChem CID147015112
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H11ClF3N3/c1-4(13-2)6-5(9)7(8(10,11)12)14-15(6)3/h4,13H,1-3H3
InChIKeyAUPTXKORBDMCQP-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine (CID 147015112) is 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine is CNC(C)c1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine?
The InChIKey is AUPTXKORBDMCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3/c1-4(13-2)6-5(9)7(8(10,11)12)14-15(6)3/h4,13H,1-3H3.
What are the key properties of 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine?
1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine has a molecular weight of 241.64 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 147015112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).