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

C14H16F3N5O3 — CID 23202615

IUPAC[2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(CC(C)(C)OC(N)=O)n1
InChIInChI=1S/C14H16F3N5O3/c1-13(2,25-12(18)23)5-8-6-19-7-10(20-8)24-11-4-9(14(15,16)17)21-22(11)3/h4,6-7H,5H2,1-3H3,(H2,18,23)
InChIKeyCOIYXAMRWPWOEO-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.44
Rot. Bonds5

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

[2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate (PubChem CID 23202615) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate
PubChem CID23202615
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Name[2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(CC(C)(C)OC(N)=O)n1
InChIInChI=1S/C14H16F3N5O3/c1-13(2,25-12(18)23)5-8-6-19-7-10(20-8)24-11-4-9(14(15,16)17)21-22(11)3/h4,6-7H,5H2,1-3H3,(H2,18,23)
InChIKeyCOIYXAMRWPWOEO-UHFFFAOYSA-N
XLogP2.44
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide
CID 23202603
5-[6-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]pentanamide
CID 23202627
2-Cyclopropyl-2-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]acetamide
CID 54305628
N-ethyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]butanamide
CID 67675695
2-(1-Methyl-5-propan-2-ylpyrazol-3-yl)oxypyrazine
CID 101459489

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate?
The IUPAC name of [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate (CID 23202615) is [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate?
The canonical SMILES for [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate is Cn1nc(C(F)(F)F)cc1Oc1cncc(CC(C)(C)OC(N)=O)n1.
What is the InChIKey of [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate?
The InChIKey is COIYXAMRWPWOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-13(2,25-12(18)23)5-8-6-19-7-10(20-8)24-11-4-9(14(15,16)17)21-22(11)3/h4,6-7H,5H2,1-3H3,(H2,18,23).
What are the key properties of [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate?
[2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate has a molecular weight of 359.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazin-2-yl]propan-2-yl] carbamate is sourced from PubChem (CID 23202615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).