N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine

C20H20F6N6-2 — CID 140780488

IUPACN,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine
SMILESCCCCCc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1N(C)C
InChIInChI=1S/C20H20F6N6/c1-4-5-6-7-11-8-12(13-9-15(30-28-13)19(21,22)23)27-17(18(11)32(2)3)14-10-16(31-29-14)20(24,25)26/h8-10H,4-7H2,1-3H3/q-2
InChIKeyMOXDSJHUOLGAGL-UHFFFAOYSA-N
MW458.41 g/mol
LogP4.96
Rot. Bonds7

About N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine

N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine (PubChem CID 140780488) has the molecular formula C20H20F6N6-2 and a molecular weight of 458.41 g/mol. Its IUPAC name is N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine
PubChem CID140780488
Molecular FormulaC20H20F6N6-2
Molecular Weight458.41 g/mol
Exact Mass458.17
IUPAC NameN,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine
SMILESCCCCCc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1N(C)C
InChIInChI=1S/C20H20F6N6/c1-4-5-6-7-11-8-12(13-9-15(30-28-13)19(21,22)23)27-17(18(11)32(2)3)14-10-16(31-29-14)20(24,25)26/h8-10H,4-7H2,1-3H3/q-2
InChIKeyMOXDSJHUOLGAGL-UHFFFAOYSA-N
XLogP4.96
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine 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

3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo(1,2-B)Pyrazole
CID 5287525
3-(3,4-difluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992681
3-(4-fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992824
(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-b]pyridin-7-yl)-dipropyl-amine
CID 44341455
6-(3,5-Dimethyltriazol-4-yl)-1-[(1,4,4-trifluorocyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 90426828
1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyltriazol-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118059767
1-[[1-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
CID 155567745
3-[1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]pyridine
CID 132212000
3-[4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]pyridine
CID 132224407
4-[4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]pyridine
CID 132224411
4-[4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]-3-fluoropyridine
CID 132224413
2,5-Dimethyl-3-[3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]phenyl]pyrazine
CID 31135428

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine (CID 140780488) is N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine is CCCCCc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1N(C)C.
What is the InChIKey of N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine?
The InChIKey is MOXDSJHUOLGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F6N6/c1-4-5-6-7-11-8-12(13-9-15(30-28-13)19(21,22)23)27-17(18(11)32(2)3)14-10-16(31-29-14)20(24,25)26/h8-10H,4-7H2,1-3H3/q-2.
What are the key properties of N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine?
N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine has a molecular weight of 458.41 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine is sourced from PubChem (CID 140780488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).