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

C8H7ClF3N5 — CID 169213467

IUPAC1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C8H6F3N5.ClH/c9-8(10,11)7-6(12)4-15-16(7)5-1-2-13-14-3-5;/h1-4H,12H2;1H
InChIKeyLGMKCCOSLSMOGK-UHFFFAOYSA-N
MW265.63 g/mol
LogP1.69
Rot. Bonds1

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

1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 169213467) has the molecular formula C8H7ClF3N5 and a molecular weight of 265.63 g/mol. Its IUPAC name is 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID169213467
Molecular FormulaC8H7ClF3N5
Molecular Weight265.63 g/mol
Exact Mass265.03
IUPAC Name1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C8H6F3N5.ClH/c9-8(10,11)7-6(12)4-15-16(7)5-1-2-13-14-3-5;/h1-4H,12H2;1H
InChIKeyLGMKCCOSLSMOGK-UHFFFAOYSA-N
XLogP1.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.63
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Fluoro-3-methylpyrazol-1-yl)pyridazine
CID 90328479
3-Chloro-5-(4-fluoro-3-methylpyrazol-1-yl)pyridazine
CID 156221193
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
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 176894499
Ethane;6-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 177972712
3,6-Dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridazine
CID 81765906
1-Pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-amine
CID 103294499
5-(Difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine
CID 103294501
1-Pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine
CID 169213468
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 177972713

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride (CID 169213467) is 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(-c2ccnnc2)c1C(F)(F)F.
What is the InChIKey of 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is LGMKCCOSLSMOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5.ClH/c9-8(10,11)7-6(12)4-15-16(7)5-1-2-13-14-3-5;/h1-4H,12H2;1H.
What are the key properties of 1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
1-pyridazin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 265.63 g/mol, XLogP of 1.69, 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;hydrochloride is sourced from PubChem (CID 169213467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).