N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide

C15H16F3N5O2 — CID 11638966

IUPACN-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide
SMILESCc1cc(Oc2cc(C(F)(F)F)nn2C)nc(CNC(=O)C2CC2)n1
InChIInChI=1S/C15H16F3N5O2/c1-8-5-12(21-11(20-8)7-19-14(24)9-3-4-9)25-13-6-10(15(16,17)18)22-23(13)2/h5-6,9H,3-4,7H2,1-2H3,(H,19,24)
InChIKeyHWVKIWAAPGJYFA-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.36
Rot. Bonds5

About N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide

N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 11638966) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide
PubChem CID11638966
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC NameN-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide
SMILESCc1cc(Oc2cc(C(F)(F)F)nn2C)nc(CNC(=O)C2CC2)n1
InChIInChI=1S/C15H16F3N5O2/c1-8-5-12(21-11(20-8)7-19-14(24)9-3-4-9)25-13-6-10(15(16,17)18)22-23(13)2/h5-6,9H,3-4,7H2,1-2H3,(H,19,24)
InChIKeyHWVKIWAAPGJYFA-UHFFFAOYSA-N
XLogP2.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide (CID 11638966) is N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide is Cc1cc(Oc2cc(C(F)(F)F)nn2C)nc(CNC(=O)C2CC2)n1.
What is the InChIKey of N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is HWVKIWAAPGJYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-8-5-12(21-11(20-8)7-19-14(24)9-3-4-9)25-13-6-10(15(16,17)18)22-23(13)2/h5-6,9H,3-4,7H2,1-2H3,(H,19,24).
What are the key properties of N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide?
N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 11638966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).