3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine

C11H9ClF3N3 — CID 117441285

IUPAC3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(C(F)(F)F)ccc2Cl)cc1N
InChIInChI=1S/C11H9ClF3N3/c1-18-10(16)5-9(17-18)7-4-6(11(13,14)15)2-3-8(7)12/h2-5H,16H2,1H3
InChIKeyAPXPXQGBPDWYGE-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.34
Rot. Bonds1

About 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine

3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117441285) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117441285
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(C(F)(F)F)ccc2Cl)cc1N
InChIInChI=1S/C11H9ClF3N3/c1-18-10(16)5-9(17-18)7-4-6(11(13,14)15)2-3-8(7)12/h2-5H,16H2,1H3
InChIKeyAPXPXQGBPDWYGE-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (CID 117441285) is 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2cc(C(F)(F)F)ccc2Cl)cc1N.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is APXPXQGBPDWYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-18-10(16)5-9(17-18)7-4-6(11(13,14)15)2-3-8(7)12/h2-5H,16H2,1H3.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 275.66 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117441285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).