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

C10H10F3N5O — CID 172858626

IUPAC3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine
SMILESCNc1cn(-c2cnc(C(F)(F)F)nc2)nc1OC
InChIInChI=1S/C10H10F3N5O/c1-14-7-5-18(17-8(7)19-2)6-3-15-9(16-4-6)10(11,12)13/h3-5,14H,1-2H3
InChIKeyZBALLLXPELDMLH-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.73
Rot. Bonds3

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

3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine (PubChem CID 172858626) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine
PubChem CID172858626
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine
SMILESCNc1cn(-c2cnc(C(F)(F)F)nc2)nc1OC
InChIInChI=1S/C10H10F3N5O/c1-14-7-5-18(17-8(7)19-2)6-3-15-9(16-4-6)10(11,12)13/h3-5,14H,1-2H3
InChIKeyZBALLLXPELDMLH-UHFFFAOYSA-N
XLogP1.73
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine?
The IUPAC name of 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine (CID 172858626) is 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine is CNc1cn(-c2cnc(C(F)(F)F)nc2)nc1OC.
What is the InChIKey of 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine?
The InChIKey is ZBALLLXPELDMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-14-7-5-18(17-8(7)19-2)6-3-15-9(16-4-6)10(11,12)13/h3-5,14H,1-2H3.
What are the key properties of 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine?
3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine has a molecular weight of 273.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-amine is sourced from PubChem (CID 172858626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).