5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

C19H22F5N3O — CID 71168153

IUPAC5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(C(F)(F)F)cc2C(F)F)nc1OC
InChIInChI=1S/C19H22F5N3O/c1-5-12(6-2)26-17-18(28-4)27-15(10(3)25-17)13-8-7-11(19(22,23)24)9-14(13)16(20)21/h7-9,12,16H,5-6H2,1-4H3,(H,25,26)
InChIKeyQLAPZQFZCQECBT-UHFFFAOYSA-N
MW403.40 g/mol
LogP6.02
Rot. Bonds7

About 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 71168153) has the molecular formula C19H22F5N3O and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID71168153
Molecular FormulaC19H22F5N3O
Molecular Weight403.40 g/mol
Exact Mass403.17
IUPAC Name5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(C(F)(F)F)cc2C(F)F)nc1OC
InChIInChI=1S/C19H22F5N3O/c1-5-12(6-2)26-17-18(28-4)27-15(10(3)25-17)13-8-7-11(19(22,23)24)9-14(13)16(20)21/h7-9,12,16H,5-6H2,1-4H3,(H,25,26)
InChIKeyQLAPZQFZCQECBT-UHFFFAOYSA-N
XLogP6.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 71168153) is 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2ccc(C(F)(F)F)cc2C(F)F)nc1OC.
What is the InChIKey of 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is QLAPZQFZCQECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F5N3O/c1-5-12(6-2)26-17-18(28-4)27-15(10(3)25-17)13-8-7-11(19(22,23)24)9-14(13)16(20)21/h7-9,12,16H,5-6H2,1-4H3,(H,25,26).
What are the key properties of 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 403.40 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 71168153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).