N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H12F3N5O — CID 72937346

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCc1cc(CNc2ccnc(C(F)(F)F)n2)[nH]n1
InChIInChI=1S/C11H12F3N5O/c1-20-6-8-4-7(18-19-8)5-16-9-2-3-15-10(17-9)11(12,13)14/h2-4H,5-6H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyMVSFVJOFZXEODI-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.98
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 72937346) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID72937346
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCc1cc(CNc2ccnc(C(F)(F)F)n2)[nH]n1
InChIInChI=1S/C11H12F3N5O/c1-20-6-8-4-7(18-19-8)5-16-9-2-3-15-10(17-9)11(12,13)14/h2-4H,5-6H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyMVSFVJOFZXEODI-UHFFFAOYSA-N
XLogP1.98
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 72937346) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is COCc1cc(CNc2ccnc(C(F)(F)F)n2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MVSFVJOFZXEODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-20-6-8-4-7(18-19-8)5-16-9-2-3-15-10(17-9)11(12,13)14/h2-4H,5-6H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 72937346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).