1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine

C8H6F3N5 — CID 169213468

IUPAC1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C8H6F3N5/c9-8(10,11)7-6(12)4-15-16(7)5-1-2-13-14-3-5/h1-4H,12H2
InChIKeyKFMYQGUBFUIMOH-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.26
Rot. Bonds1

About 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine

1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 169213468) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID169213468
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C8H6F3N5/c9-8(10,11)7-6(12)4-15-16(7)5-1-2-13-14-3-5/h1-4H,12H2
InChIKeyKFMYQGUBFUIMOH-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Fluoro-3-methylpyrazol-1-yl)pyridazine
CID 90328479
1-Pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 169213467
tert-butyl N-[1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 169213531
1-Pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 169213532
1-[[2-(Trifluoromethyl)pyrazol-3-yl]methyl]piperazine
CID 170071765
1-[[1-(Trifluoromethyl)pyrazol-3-yl]methyl]piperazine
CID 174286339
1-[[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]methyl]piperazine
CID 174286689
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 176894499
Ethane;6-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 177972712
1-{2-[3-(Trifluoromethyl)pyrazolyl]ethyl}pyrazole-4-ylamine
CID 19576722
1-{[1-(difluoromethyl)-1H-pyrazol-5-yl]methyl}piperazine
CID 50896778
3,6-Dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridazine
CID 81765906

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine (CID 169213468) is 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine is Nc1cnn(-c2ccnnc2)c1C(F)(F)F.
What is the InChIKey of 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is KFMYQGUBFUIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)7-6(12)4-15-16(7)5-1-2-13-14-3-5/h1-4H,12H2.
What are the key properties of 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine?
1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 229.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 169213468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).