N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine

C14H17F3N4 — CID 80636901

IUPACN-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2cc(C(F)(F)F)cn2)c(C)c1
InChIInChI=1S/C14H17F3N4/c1-3-4-18-6-11-5-10(2)13(19-7-11)21-9-12(8-20-21)14(15,16)17/h5,7-9,18H,3-4,6H2,1-2H3
InChIKeyCEFMCIUHLDLZMV-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.09
Rot. Bonds5

About N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine

N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80636901) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID80636901
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC NameN-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2cc(C(F)(F)F)cn2)c(C)c1
InChIInChI=1S/C14H17F3N4/c1-3-4-18-6-11-5-10(2)13(19-7-11)21-9-12(8-20-21)14(15,16)17/h5,7-9,18H,3-4,6H2,1-2H3
InChIKeyCEFMCIUHLDLZMV-UHFFFAOYSA-N
XLogP3.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80635268
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80635627
N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 80638274
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80630835
N-[[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80629616
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80638418
N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635837
N-[[4-(4-chloropyrazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 55040510
N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 104535971
1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80630801

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine (CID 80636901) is N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(-n2cc(C(F)(F)F)cn2)c(C)c1.
What is the InChIKey of N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is CEFMCIUHLDLZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-3-4-18-6-11-5-10(2)13(19-7-11)21-9-12(8-20-21)14(15,16)17/h5,7-9,18H,3-4,6H2,1-2H3.
What are the key properties of N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine?
N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 80636901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).