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

C13H15F3N4 — CID 81254195

IUPACN-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H15F3N4/c1-9(2)18-6-10-5-17-4-3-12(10)20-8-11(7-19-20)13(14,15)16/h3-5,7-9,18H,6H2,1-2H3
InChIKeyXHMCNWQYDTUNMA-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.78
Rot. Bonds4

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

N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81254195) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
PubChem CID81254195
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC NameN-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H15F3N4/c1-9(2)18-6-10-5-17-4-3-12(10)20-8-11(7-19-20)13(14,15)16/h3-5,7-9,18H,6H2,1-2H3
InChIKeyXHMCNWQYDTUNMA-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81253288
N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 81255203
N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
CID 83185167
N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81255204
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248359
N-[[4-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81255189
N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557845
N-[[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54910009
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246723
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247460
N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine
CID 81253767
N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248946

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine (CID 81254195) is N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnccc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is XHMCNWQYDTUNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-9(2)18-6-10-5-17-4-3-12(10)20-8-11(7-19-20)13(14,15)16/h3-5,7-9,18H,6H2,1-2H3.
What are the key properties of N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine?
N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 284.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81254195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).