N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide

C14H14F3N5O2 — CID 67676204

IUPACN-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NC2CCC2)n1
InChIInChI=1S/C14H14F3N5O2/c1-22-12(5-10(21-22)14(15,16)17)24-11-7-18-6-9(20-11)13(23)19-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,19,23)
InChIKeyPTWCNKCOEQQCFZ-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.30
Rot. Bonds4

About N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide

N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide (PubChem CID 67676204) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
PubChem CID67676204
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC NameN-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NC2CCC2)n1
InChIInChI=1S/C14H14F3N5O2/c1-22-12(5-10(21-22)14(15,16)17)24-11-7-18-6-9(20-11)13(23)19-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,19,23)
InChIKeyPTWCNKCOEQQCFZ-UHFFFAOYSA-N
XLogP2.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The IUPAC name of N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide (CID 67676204) is N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide is Cn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NC2CCC2)n1.
What is the InChIKey of N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The InChIKey is PTWCNKCOEQQCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-22-12(5-10(21-22)14(15,16)17)24-11-7-18-6-9(20-11)13(23)19-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,19,23).
What are the key properties of N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide is sourced from PubChem (CID 67676204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).