5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide

C14H16F3N5O2 — CID 23202627

IUPAC5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(CCCCC(N)=O)n1
InChIInChI=1S/C14H16F3N5O2/c1-22-13(6-10(21-22)14(15,16)17)24-12-8-19-7-9(20-12)4-2-3-5-11(18)23/h6-8H,2-5H2,1H3,(H2,18,23)
InChIKeyCUBOACLSZGSDKT-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.22
Rot. Bonds7

About 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide

5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide (PubChem CID 23202627) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide.

Molecular Properties

Compound Name5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide
PubChem CID23202627
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(CCCCC(N)=O)n1
InChIInChI=1S/C14H16F3N5O2/c1-22-13(6-10(21-22)14(15,16)17)24-12-8-19-7-9(20-12)4-2-3-5-11(18)23/h6-8H,2-5H2,1H3,(H2,18,23)
InChIKeyCUBOACLSZGSDKT-UHFFFAOYSA-N
XLogP2.22
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide
CID 23202603
N-(4-amino-4-oxobutyl)-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide
CID 23202607
N-(2-amino-2-oxoethyl)-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
CID 23202612
[2-Methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate
CID 23202615
2-Cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
CID 54305628
N-butan-2-yl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
CID 67674846
N-cyclopentyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
CID 67674922
N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
CID 67674946
N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide
CID 67675695
N-butyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
CID 141579975
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-propylpyrazine-2-carboxamide
CID 141579989
[5-(2,5-Dimethylpyrazol-3-yl)oxypyrazin-2-yl]methanamine
CID 81342457

Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide?
The IUPAC name of 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide (CID 23202627) is 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide.
What is the SMILES notation for 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide?
The canonical SMILES for 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide is Cn1nc(C(F)(F)F)cc1Oc1cncc(CCCCC(N)=O)n1.
What is the InChIKey of 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide?
The InChIKey is CUBOACLSZGSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-22-13(6-10(21-22)14(15,16)17)24-12-8-19-7-9(20-12)4-2-3-5-11(18)23/h6-8H,2-5H2,1H3,(H2,18,23).
What are the key properties of 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide?
5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide has a molecular weight of 343.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide is sourced from PubChem (CID 23202627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).