4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C16H14F3N5O — CID 69085770

IUPAC4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2cnn(-c3ccccc3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H14F3N5O/c1-10-13(9-21-24(10)11-6-4-3-5-7-11)22-15-20-8-12(16(17,18)19)14(23-15)25-2/h3-9H,1-2H3,(H,20,22,23)
InChIKeyFEHNRYWQSUXWMJ-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.74
Rot. Bonds4

About 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine

4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 69085770) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID69085770
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2cnn(-c3ccccc3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H14F3N5O/c1-10-13(9-21-24(10)11-6-4-3-5-7-11)22-15-20-8-12(16(17,18)19)14(23-15)25-2/h3-9H,1-2H3,(H,20,22,23)
InChIKeyFEHNRYWQSUXWMJ-UHFFFAOYSA-N
XLogP3.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 69085770) is 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine is COc1nc(Nc2cnn(-c3ccccc3)c2C)ncc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FEHNRYWQSUXWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-10-13(9-21-24(10)11-6-4-3-5-7-11)22-15-20-8-12(16(17,18)19)14(23-15)25-2/h3-9H,1-2H3,(H,20,22,23).
What are the key properties of 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 349.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 69085770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).