N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C15H18F3N5O — CID 55720473

IUPACN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCN(CCCNC(=O)c1ccc(-n2cccn2)nc1)CC(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-22(11-15(16,17)18)8-2-6-19-14(24)12-4-5-13(20-10-12)23-9-3-7-21-23/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,24)
InChIKeyRUPUMVREUNRICK-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.88
Rot. Bonds7

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 55720473) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID55720473
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCN(CCCNC(=O)c1ccc(-n2cccn2)nc1)CC(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-22(11-15(16,17)18)8-2-6-19-14(24)12-4-5-13(20-10-12)23-9-3-7-21-23/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,24)
InChIKeyRUPUMVREUNRICK-UHFFFAOYSA-N
XLogP1.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55720127
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55712910
1-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]triazole-4-carboxamide
CID 86991560
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55538549
N-cyclohexyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654230
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55533125
2-methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111864547
4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716152
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55715963
1-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-nitropyrazole-5-carboxamide
CID 75396020
2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide
CID 119855322

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 55720473) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide is CN(CCCNC(=O)c1ccc(-n2cccn2)nc1)CC(F)(F)F.
What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is RUPUMVREUNRICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22(11-15(16,17)18)8-2-6-19-14(24)12-4-5-13(20-10-12)23-9-3-7-21-23/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,19,24).
What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55720473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).