N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

C12H12F3N5 — CID 103294527

IUPACN-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1c(CNC2CC2)cnn1-c1cccnn1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)11-8(6-16-9-3-4-9)7-18-20(11)10-2-1-5-17-19-10/h1-2,5,7,9,16H,3-4,6H2
InChIKeyYRMRCZMHFAULLT-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.93
Rot. Bonds4

About N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 103294527) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID103294527
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC NameN-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1c(CNC2CC2)cnn1-c1cccnn1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)11-8(6-16-9-3-4-9)7-18-20(11)10-2-1-5-17-19-10/h1-2,5,7,9,16H,3-4,6H2
InChIKeyYRMRCZMHFAULLT-UHFFFAOYSA-N
XLogP1.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine
CID 82527795
N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441946
N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66442349
2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66436390
N-[(5-cyclopropyl-1-pyridazin-3-ylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 103294542
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
2-methyl-N-[(5-propan-2-yl-1-pyridazin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 103294541
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 155502909
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one
CID 146145187

Frequently Asked Questions

What is the IUPAC name of N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 103294527) is N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is FC(F)(F)c1c(CNC2CC2)cnn1-c1cccnn1.
What is the InChIKey of N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YRMRCZMHFAULLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c13-12(14,15)11-8(6-16-9-3-4-9)7-18-20(11)10-2-1-5-17-19-10/h1-2,5,7,9,16H,3-4,6H2.
What are the key properties of N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 283.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103294527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).