N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine

C13H18F3N5 — CID 19625434

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
SMILESCCn1nc(CNCc2cn(C)nc2C)cc1C(F)(F)F
InChIInChI=1S/C13H18F3N5/c1-4-21-12(13(14,15)16)5-11(19-21)7-17-6-10-8-20(3)18-9(10)2/h5,8,17H,4,6-7H2,1-3H3
InChIKeyKTDSXDPHMKRIIC-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.25
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine (PubChem CID 19625434) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
PubChem CID19625434
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
SMILESCCn1nc(CNCc2cn(C)nc2C)cc1C(F)(F)F
InChIInChI=1S/C13H18F3N5/c1-4-21-12(13(14,15)16)5-11(19-21)7-17-6-10-8-20(3)18-9(10)2/h5,8,17H,4,6-7H2,1-3H3
InChIKeyKTDSXDPHMKRIIC-UHFFFAOYSA-N
XLogP2.25
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine 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

1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 112668570
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112668482
N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine
CID 19625534
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126968344
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
1-(5-bromo-2-pyridinyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668648
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112705206
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126963870
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415660

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine (CID 19625434) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine is CCn1nc(CNCc2cn(C)nc2C)cc1C(F)(F)F.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The InChIKey is KTDSXDPHMKRIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c1-4-21-12(13(14,15)16)5-11(19-21)7-17-6-10-8-20(3)18-9(10)2/h5,8,17H,4,6-7H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine has a molecular weight of 301.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 19625434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).