2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

C16H21F3N4 — CID 46988232

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CN(Cc1ccc(C(F)(F)F)nc1)Cc1cnn(C)c1
InChIInChI=1S/C16H21F3N4/c1-12(2)8-23(11-14-7-21-22(3)9-14)10-13-4-5-15(20-6-13)16(17,18)19/h4-7,9,12H,8,10-11H2,1-3H3
InChIKeyRTMOCWNKKBRADI-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.49
Rot. Bonds6

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 46988232) has the molecular formula C16H21F3N4 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID46988232
Molecular FormulaC16H21F3N4
Molecular Weight326.37 g/mol
Exact Mass326.17
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CN(Cc1ccc(C(F)(F)F)nc1)Cc1cnn(C)c1
InChIInChI=1S/C16H21F3N4/c1-12(2)8-23(11-14-7-21-22(3)9-14)10-13-4-5-15(20-6-13)16(17,18)19/h4-7,9,12H,8,10-11H2,1-3H3
InChIKeyRTMOCWNKKBRADI-UHFFFAOYSA-N
XLogP3.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

3-(1H-pyrazol-5-yl)pyridine
CID 7074967
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229
Dipropyl-(S)-1,2,3,4-tetrahydro-pyrido[1,2-b]indazol-2-yl-amine
CID 10084583
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (CID 46988232) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is CC(C)CN(Cc1ccc(C(F)(F)F)nc1)Cc1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is RTMOCWNKKBRADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4/c1-12(2)8-23(11-14-7-21-22(3)9-14)10-13-4-5-15(20-6-13)16(17,18)19/h4-7,9,12H,8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 326.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 46988232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).