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

C16H18F3N5O2 — CID 67674946

IUPACN-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C16H18F3N5O2/c1-24-14(7-12(23-24)16(17,18)19)26-13-9-20-8-11(22-13)15(25)21-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,21,25)
InChIKeyKTXJBQQVVCNPMU-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.08
Rot. Bonds4

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

N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide (PubChem CID 67674946) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
PubChem CID67674946
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC NameN-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C16H18F3N5O2/c1-24-14(7-12(23-24)16(17,18)19)26-13-9-20-8-11(22-13)15(25)21-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,21,25)
InChIKeyKTXJBQQVVCNPMU-UHFFFAOYSA-N
XLogP3.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide (CID 67674946) is N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide is Cn1nc(C(F)(F)F)cc1Oc1cncc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
The InChIKey is KTXJBQQVVCNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-24-14(7-12(23-24)16(17,18)19)26-13-9-20-8-11(22-13)15(25)21-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,21,25).
What are the key properties of N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide?
N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrazine-2-carboxamide is sourced from PubChem (CID 67674946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).