2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C13H16F3N5 — CID 102718481

IUPAC2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NCc2ccnn2C)n1
InChIInChI=1S/C13H16F3N5/c1-3-17-11-6-9(13(14,15)16)7-12(20-11)18-8-10-4-5-19-21(10)2/h4-7H,3,8H2,1-2H3,(H2,17,18,20)
InChIKeyFSVVEPYSNDINMR-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.88
Rot. Bonds5

About 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718481) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718481
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NCc2ccnn2C)n1
InChIInChI=1S/C13H16F3N5/c1-3-17-11-6-9(13(14,15)16)7-12(20-11)18-8-10-4-5-19-21(10)2/h4-7H,3,8H2,1-2H3,(H2,17,18,20)
InChIKeyFSVVEPYSNDINMR-UHFFFAOYSA-N
XLogP2.88
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565044
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 103009998
2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718474
2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 113367828
2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719089
2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718897
6-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80830403
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115282762
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349
2-N-ethyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718546
6-N-(4-chlorophenyl)-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717083
6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719417

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718481) is 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(NCc2ccnn2C)n1.
What is the InChIKey of 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is FSVVEPYSNDINMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-3-17-11-6-9(13(14,15)16)7-12(20-11)18-8-10-4-5-19-21(10)2/h4-7H,3,8H2,1-2H3,(H2,17,18,20).
What are the key properties of 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 299.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).