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

C7H9ClF3N3 — CID 70851873

IUPAC1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine
SMILESCC(N)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7H9ClF3N3/c1-3(12)5-4(8)6(7(9,10)11)14(2)13-5/h3H,12H2,1-2H3
InChIKeyZDNYNXOFPBEZJI-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.11
Rot. Bonds1

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

1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine (PubChem CID 70851873) has the molecular formula C7H9ClF3N3 and a molecular weight of 227.62 g/mol. Its IUPAC name is 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine
PubChem CID70851873
Molecular FormulaC7H9ClF3N3
Molecular Weight227.62 g/mol
Exact Mass227.04
IUPAC Name1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine
SMILESCC(N)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7H9ClF3N3/c1-3(12)5-4(8)6(7(9,10)11)14(2)13-5/h3H,12H2,1-2H3
InChIKeyZDNYNXOFPBEZJI-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.11
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-5-(trifluoromethyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine (CID 70851873) is 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine is CC(N)c1nn(C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine?
The InChIKey is ZDNYNXOFPBEZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3N3/c1-3(12)5-4(8)6(7(9,10)11)14(2)13-5/h3H,12H2,1-2H3.
What are the key properties of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine?
1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanamine has a molecular weight of 227.62 g/mol, XLogP of 2.11, 1 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-5-(trifluoromethyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 70851873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).