4-chloro-3-(trifluoromethyl)pyrazol-1-amine

C4H3ClF3N3 — CID 162596675

IUPAC4-chloro-3-(trifluoromethyl)pyrazol-1-amine
SMILESNn1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C4H3ClF3N3/c5-2-1-11(9)10-3(2)4(6,7)8/h1H,9H2
InChIKeyBYJVBZNOESJHKQ-UHFFFAOYSA-N
MW185.54 g/mol
LogP1.27
Rot. Bonds

About 4-chloro-3-(trifluoromethyl)pyrazol-1-amine

4-chloro-3-(trifluoromethyl)pyrazol-1-amine (PubChem CID 162596675) has the molecular formula C4H3ClF3N3 and a molecular weight of 185.54 g/mol. Its IUPAC name is 4-chloro-3-(trifluoromethyl)pyrazol-1-amine.

Molecular Properties

Compound Name4-chloro-3-(trifluoromethyl)pyrazol-1-amine
PubChem CID162596675
Molecular FormulaC4H3ClF3N3
Molecular Weight185.54 g/mol
Exact Mass185.00
IUPAC Name4-chloro-3-(trifluoromethyl)pyrazol-1-amine
SMILESNn1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C4H3ClF3N3/c5-2-1-11(9)10-3(2)4(6,7)8/h1H,9H2
InChIKeyBYJVBZNOESJHKQ-UHFFFAOYSA-N
XLogP1.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.54
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(trifluoromethyl)pyrazol-1-amine?
The IUPAC name of 4-chloro-3-(trifluoromethyl)pyrazol-1-amine (CID 162596675) is 4-chloro-3-(trifluoromethyl)pyrazol-1-amine.
What is the SMILES notation for 4-chloro-3-(trifluoromethyl)pyrazol-1-amine?
The canonical SMILES for 4-chloro-3-(trifluoromethyl)pyrazol-1-amine is Nn1cc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-3-(trifluoromethyl)pyrazol-1-amine?
The InChIKey is BYJVBZNOESJHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF3N3/c5-2-1-11(9)10-3(2)4(6,7)8/h1H,9H2.
What are the key properties of 4-chloro-3-(trifluoromethyl)pyrazol-1-amine?
4-chloro-3-(trifluoromethyl)pyrazol-1-amine has a molecular weight of 185.54 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(trifluoromethyl)pyrazol-1-amine is sourced from PubChem (CID 162596675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).