3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine

C5H5BrF3N3 — CID 171093624

IUPAC3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(Br)c(C(F)(F)F)c1N
InChIInChI=1S/C5H5BrF3N3/c1-12-4(10)2(3(6)11-12)5(7,8)9/h10H2,1H3
InChIKeyLQWPMPLVZCRSKG-UHFFFAOYSA-N
MW244.01 g/mol
LogP1.78
Rot. Bonds

About 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine

3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171093624) has the molecular formula C5H5BrF3N3 and a molecular weight of 244.01 g/mol. Its IUPAC name is 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine
PubChem CID171093624
Molecular FormulaC5H5BrF3N3
Molecular Weight244.01 g/mol
Exact Mass242.96
IUPAC Name3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(Br)c(C(F)(F)F)c1N
InChIInChI=1S/C5H5BrF3N3/c1-12-4(10)2(3(6)11-12)5(7,8)9/h10H2,1H3
InChIKeyLQWPMPLVZCRSKG-UHFFFAOYSA-N
XLogP1.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.01
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine (CID 171093624) is 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine is Cn1nc(Br)c(C(F)(F)F)c1N.
What is the InChIKey of 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is LQWPMPLVZCRSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF3N3/c1-12-4(10)2(3(6)11-12)5(7,8)9/h10H2,1H3.
What are the key properties of 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine?
3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 244.01 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171093624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).