N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine

C13H15F3N4O — CID 56817424

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C13H15F3N4O/c1-9-11(7-19-20-9)6-17-5-10-2-3-18-12(4-10)21-8-13(14,15)16/h2-4,7,17H,5-6,8H2,1H3,(H,19,20)
InChIKeyZTJQRCOQALECNO-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.34
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine (PubChem CID 56817424) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
PubChem CID56817424
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C13H15F3N4O/c1-9-11(7-19-20-9)6-17-5-10-2-3-18-12(4-10)21-8-13(14,15)16/h2-4,7,17H,5-6,8H2,1H3,(H,19,20)
InChIKeyZTJQRCOQALECNO-UHFFFAOYSA-N
XLogP2.34
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine (CID 56817424) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine is Cc1[nH]ncc1CNCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine?
The InChIKey is ZTJQRCOQALECNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-9-11(7-19-20-9)6-17-5-10-2-3-18-12(4-10)21-8-13(14,15)16/h2-4,7,17H,5-6,8H2,1H3,(H,19,20).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine has a molecular weight of 300.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 56817424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).